From 469803732f00599b6d511c73cf601a84d3fa4971 Mon Sep 17 00:00:00 2001 From: Gabriel Studer <gabriel.studer@unibas.ch> Date: Thu, 30 Apr 2015 16:57:50 +0200 Subject: [PATCH] add licencing stuff on top of source files --- .../mol/mm/pymod/export_block_modifiers.cc | 19 +++++++++++++++ modules/mol/mm/pymod/export_buildingblock.cc | 19 +++++++++++++++ modules/mol/mm/pymod/export_ff_reader.cc | 3 ++- modules/mol/mm/pymod/export_forcefield.cc | 3 ++- modules/mol/mm/pymod/export_index.cc | 19 +++++++++++++++ modules/mol/mm/pymod/export_interaction.cc | 19 +++++++++++++++ modules/mol/mm/pymod/export_modeller.cc | 19 +++++++++++++++ modules/mol/mm/pymod/export_observers.cc | 19 +++++++++++++++ modules/mol/mm/pymod/export_openmm.cc | 3 ++- modules/mol/mm/pymod/export_settings.cc | 3 ++- modules/mol/mm/pymod/export_simulation.cc | 3 ++- modules/mol/mm/pymod/export_topology.cc | 19 +++++++++++++++ modules/mol/mm/pymod/wrap_mol_mm.cc | 19 +++++++++++++++ modules/mol/mm/src/block_modifiers.hh | 19 +++++++++++++++ modules/mol/mm/src/buildingblock.cc | 19 +++++++++++++++ modules/mol/mm/src/buildingblock.hh | 19 +++++++++++++++ modules/mol/mm/src/ff_reader.cc | 19 +++++++++++++++ modules/mol/mm/src/ff_reader.hh | 23 +++++++++++++++++-- modules/mol/mm/src/forcefield.cc | 19 +++++++++++++++ modules/mol/mm/src/forcefield.hh | 19 +++++++++++++++ modules/mol/mm/src/gromacs_block_modifiers.cc | 19 +++++++++++++++ modules/mol/mm/src/gromacs_block_modifiers.hh | 19 +++++++++++++++ .../mol/mm/src/heuristic_block_modifiers.cc | 19 +++++++++++++++ .../mol/mm/src/heuristic_block_modifiers.hh | 19 +++++++++++++++ modules/mol/mm/src/index.hh | 19 +++++++++++++++ modules/mol/mm/src/interaction.cc | 19 +++++++++++++++ modules/mol/mm/src/interaction.hh | 19 +++++++++++++++ modules/mol/mm/src/modeller.cc | 19 +++++++++++++++ modules/mol/mm/src/modeller.hh | 19 +++++++++++++++ modules/mol/mm/src/observer.cc | 19 +++++++++++++++ modules/mol/mm/src/observer.hh | 19 +++++++++++++++ modules/mol/mm/src/settings.hh | 19 +++++++++++++++ modules/mol/mm/src/simulation.cc | 19 +++++++++++++++ modules/mol/mm/src/simulation.hh | 19 +++++++++++++++ modules/mol/mm/src/state_extractor.cc | 19 +++++++++++++++ modules/mol/mm/src/state_extractor.hh | 19 +++++++++++++++ modules/mol/mm/src/steep.cc | 19 +++++++++++++++ modules/mol/mm/src/steep.hh | 19 +++++++++++++++ modules/mol/mm/src/system_creator.cc | 19 +++++++++++++++ modules/mol/mm/src/system_creator.hh | 19 +++++++++++++++ modules/mol/mm/src/topology.cc | 19 +++++++++++++++ modules/mol/mm/src/topology.hh | 19 +++++++++++++++ modules/mol/mm/src/topology_creator.cc | 19 +++++++++++++++ modules/mol/mm/src/topology_creator.hh | 21 ++++++++++++++++- modules/mol/mm/tests/test_block.cc | 19 +++++++++++++++ modules/mol/mm/tests/test_block_modifiers.cc | 19 +++++++++++++++ modules/mol/mm/tests/test_forcefield.cc | 19 +++++++++++++++ modules/mol/mm/tests/test_interaction.cc | 19 +++++++++++++++ modules/mol/mm/tests/test_simulation.cc | 19 +++++++++++++++ modules/mol/mm/tests/test_topology.cc | 19 +++++++++++++++ modules/mol/mm/tests/tests.cc | 3 ++- 51 files changed, 870 insertions(+), 9 deletions(-) diff --git a/modules/mol/mm/pymod/export_block_modifiers.cc b/modules/mol/mm/pymod/export_block_modifiers.cc index 253d824c5..337e36ae2 100644 --- a/modules/mol/mm/pymod/export_block_modifiers.cc +++ b/modules/mol/mm/pymod/export_block_modifiers.cc @@ -1,3 +1,22 @@ +//------------------------------------------------------------------------------ +// This file is part of the OpenStructure project <www.openstructure.org> +// +// Copyright (C) 2008-2015 by the OpenStructure authors +// +// This library is free software; you can redistribute it and/or modify it under +// the terms of the GNU Lesser General Public License as published by the Free +// Software Foundation; either version 3.0 of the License, or (at your option) +// any later version. +// This library is distributed in the hope that it will be useful, but WITHOUT +// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS +// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more +// details. +// +// You should have received a copy of the GNU Lesser General Public License +// along with this library; if not, write to the Free Software Foundation, Inc., +// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA +//------------------------------------------------------------------------------ + #include <boost/python.hpp> #include <ost/mol/mm/block_modifiers.hh> #include <ost/mol/mm/gromacs_block_modifiers.hh> diff --git a/modules/mol/mm/pymod/export_buildingblock.cc b/modules/mol/mm/pymod/export_buildingblock.cc index 4186bd9c2..6ea1f4e2e 100644 --- a/modules/mol/mm/pymod/export_buildingblock.cc +++ b/modules/mol/mm/pymod/export_buildingblock.cc @@ -1,3 +1,22 @@ +//------------------------------------------------------------------------------ +// This file is part of the OpenStructure project <www.openstructure.org> +// +// Copyright (C) 2008-2015 by the OpenStructure authors +// +// This library is free software; you can redistribute it and/or modify it under +// the terms of the GNU Lesser General Public License as published by the Free +// Software Foundation; either version 3.0 of the License, or (at your option) +// any later version. +// This library is distributed in the hope that it will be useful, but WITHOUT +// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS +// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more +// details. +// +// You should have received a copy of the GNU Lesser General Public License +// along with this library; if not, write to the Free Software Foundation, Inc., +// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA +//------------------------------------------------------------------------------ + #include <boost/python.hpp> #include <ost/mol/mm/buildingblock.hh> #include <ost/log.hh> diff --git a/modules/mol/mm/pymod/export_ff_reader.cc b/modules/mol/mm/pymod/export_ff_reader.cc index ea77c2e4b..8e64fb01d 100644 --- a/modules/mol/mm/pymod/export_ff_reader.cc +++ b/modules/mol/mm/pymod/export_ff_reader.cc @@ -1,7 +1,7 @@ //------------------------------------------------------------------------------ // This file is part of the OpenStructure project <www.openstructure.org> // -// Copyright (C) 2008-2011 by the OpenStructure authors +// Copyright (C) 2008-2015 by the OpenStructure authors // // This library is free software; you can redistribute it and/or modify it under // the terms of the GNU Lesser General Public License as published by the Free @@ -16,6 +16,7 @@ // along with this library; if not, write to the Free Software Foundation, Inc., // 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA //------------------------------------------------------------------------------ + #include <boost/python.hpp> #include <ost/mol/mm/ff_reader.hh> #include <ost/mol/residue_handle.hh> diff --git a/modules/mol/mm/pymod/export_forcefield.cc b/modules/mol/mm/pymod/export_forcefield.cc index 766595834..666e2dca0 100644 --- a/modules/mol/mm/pymod/export_forcefield.cc +++ b/modules/mol/mm/pymod/export_forcefield.cc @@ -1,7 +1,7 @@ //------------------------------------------------------------------------------ // This file is part of the OpenStructure project <www.openstructure.org> // -// Copyright (C) 2008-2011 by the OpenStructure authors +// Copyright (C) 2008-2015 by the OpenStructure authors // // This library is free software; you can redistribute it and/or modify it under // the terms of the GNU Lesser General Public License as published by the Free @@ -16,6 +16,7 @@ // along with this library; if not, write to the Free Software Foundation, Inc., // 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA //------------------------------------------------------------------------------ + #include <boost/python.hpp> #include <boost/shared_ptr.hpp> #include <ost/mol/mm/forcefield.hh> diff --git a/modules/mol/mm/pymod/export_index.cc b/modules/mol/mm/pymod/export_index.cc index ace9ccbd2..240f22f4b 100644 --- a/modules/mol/mm/pymod/export_index.cc +++ b/modules/mol/mm/pymod/export_index.cc @@ -1,3 +1,22 @@ +//------------------------------------------------------------------------------ +// This file is part of the OpenStructure project <www.openstructure.org> +// +// Copyright (C) 2008-2015 by the OpenStructure authors +// +// This library is free software; you can redistribute it and/or modify it under +// the terms of the GNU Lesser General Public License as published by the Free +// Software Foundation; either version 3.0 of the License, or (at your option) +// any later version. +// This library is distributed in the hope that it will be useful, but WITHOUT +// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS +// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more +// details. +// +// You should have received a copy of the GNU Lesser General Public License +// along with this library; if not, write to the Free Software Foundation, Inc., +// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA +//------------------------------------------------------------------------------ + #include <boost/python.hpp> #include <ost/mol/mm/index.hh> diff --git a/modules/mol/mm/pymod/export_interaction.cc b/modules/mol/mm/pymod/export_interaction.cc index 5af850bae..8c3084359 100644 --- a/modules/mol/mm/pymod/export_interaction.cc +++ b/modules/mol/mm/pymod/export_interaction.cc @@ -1,3 +1,22 @@ +//------------------------------------------------------------------------------ +// This file is part of the OpenStructure project <www.openstructure.org> +// +// Copyright (C) 2008-2015 by the OpenStructure authors +// +// This library is free software; you can redistribute it and/or modify it under +// the terms of the GNU Lesser General Public License as published by the Free +// Software Foundation; either version 3.0 of the License, or (at your option) +// any later version. +// This library is distributed in the hope that it will be useful, but WITHOUT +// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS +// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more +// details. +// +// You should have received a copy of the GNU Lesser General Public License +// along with this library; if not, write to the Free Software Foundation, Inc., +// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA +//------------------------------------------------------------------------------ + #include <boost/python.hpp> #include <boost/python/suite/indexing/vector_indexing_suite.hpp> diff --git a/modules/mol/mm/pymod/export_modeller.cc b/modules/mol/mm/pymod/export_modeller.cc index 8b1280425..c0f71609d 100644 --- a/modules/mol/mm/pymod/export_modeller.cc +++ b/modules/mol/mm/pymod/export_modeller.cc @@ -1,3 +1,22 @@ +//------------------------------------------------------------------------------ +// This file is part of the OpenStructure project <www.openstructure.org> +// +// Copyright (C) 2008-2015 by the OpenStructure authors +// +// This library is free software; you can redistribute it and/or modify it under +// the terms of the GNU Lesser General Public License as published by the Free +// Software Foundation; either version 3.0 of the License, or (at your option) +// any later version. +// This library is distributed in the hope that it will be useful, but WITHOUT +// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS +// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more +// details. +// +// You should have received a copy of the GNU Lesser General Public License +// along with this library; if not, write to the Free Software Foundation, Inc., +// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA +//------------------------------------------------------------------------------ + #include <boost/python.hpp> #include <ost/mol/mm/block_modifiers.hh> #include <ost/mol/mm/modeller.hh> diff --git a/modules/mol/mm/pymod/export_observers.cc b/modules/mol/mm/pymod/export_observers.cc index 896236847..47a023612 100644 --- a/modules/mol/mm/pymod/export_observers.cc +++ b/modules/mol/mm/pymod/export_observers.cc @@ -1,3 +1,22 @@ +//------------------------------------------------------------------------------ +// This file is part of the OpenStructure project <www.openstructure.org> +// +// Copyright (C) 2008-2015 by the OpenStructure authors +// +// This library is free software; you can redistribute it and/or modify it under +// the terms of the GNU Lesser General Public License as published by the Free +// Software Foundation; either version 3.0 of the License, or (at your option) +// any later version. +// This library is distributed in the hope that it will be useful, but WITHOUT +// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS +// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more +// details. +// +// You should have received a copy of the GNU Lesser General Public License +// along with this library; if not, write to the Free Software Foundation, Inc., +// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA +//------------------------------------------------------------------------------ + #include <boost/python.hpp> #include <boost/shared_ptr.hpp> #include <ost/mol/mm/observer.hh> diff --git a/modules/mol/mm/pymod/export_openmm.cc b/modules/mol/mm/pymod/export_openmm.cc index 7ba82b40b..9a34525a6 100644 --- a/modules/mol/mm/pymod/export_openmm.cc +++ b/modules/mol/mm/pymod/export_openmm.cc @@ -1,7 +1,7 @@ //------------------------------------------------------------------------------ // This file is part of the OpenStructure project <www.openstructure.org> // -// Copyright (C) 2008-2011 by the OpenStructure authors +// Copyright (C) 2008-2015 by the OpenStructure authors // // This library is free software; you can redistribute it and/or modify it under // the terms of the GNU Lesser General Public License as published by the Free @@ -16,6 +16,7 @@ // along with this library; if not, write to the Free Software Foundation, Inc., // 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA //------------------------------------------------------------------------------ + #include <boost/python.hpp> #include <OpenMM.h> diff --git a/modules/mol/mm/pymod/export_settings.cc b/modules/mol/mm/pymod/export_settings.cc index d8d868fd6..7e38401d6 100644 --- a/modules/mol/mm/pymod/export_settings.cc +++ b/modules/mol/mm/pymod/export_settings.cc @@ -1,7 +1,7 @@ //------------------------------------------------------------------------------ // This file is part of the OpenStructure project <www.openstructure.org> // -// Copyright (C) 2008-2011 by the OpenStructure authors +// Copyright (C) 2008-2015 by the OpenStructure authors // // This library is free software; you can redistribute it and/or modify it under // the terms of the GNU Lesser General Public License as published by the Free @@ -16,6 +16,7 @@ // along with this library; if not, write to the Free Software Foundation, Inc., // 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA //------------------------------------------------------------------------------ + #include <boost/python.hpp> #include <ost/mol/mm/settings.hh> #include <OpenMM.h> //for definition of Integrator diff --git a/modules/mol/mm/pymod/export_simulation.cc b/modules/mol/mm/pymod/export_simulation.cc index 9b7a6f93e..7d3017360 100644 --- a/modules/mol/mm/pymod/export_simulation.cc +++ b/modules/mol/mm/pymod/export_simulation.cc @@ -1,7 +1,7 @@ //------------------------------------------------------------------------------ // This file is part of the OpenStructure project <www.openstructure.org> // -// Copyright (C) 2008-2011 by the OpenStructure authors +// Copyright (C) 2008-2015 by the OpenStructure authors // // This library is free software; you can redistribute it and/or modify it under // the terms of the GNU Lesser General Public License as published by the Free @@ -16,6 +16,7 @@ // along with this library; if not, write to the Free Software Foundation, Inc., // 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA //------------------------------------------------------------------------------ + #include <boost/python.hpp> #include <ost/mol/mm/simulation.hh> diff --git a/modules/mol/mm/pymod/export_topology.cc b/modules/mol/mm/pymod/export_topology.cc index 05198b22d..9b26eed6a 100644 --- a/modules/mol/mm/pymod/export_topology.cc +++ b/modules/mol/mm/pymod/export_topology.cc @@ -1,3 +1,22 @@ +//------------------------------------------------------------------------------ +// This file is part of the OpenStructure project <www.openstructure.org> +// +// Copyright (C) 2008-2015 by the OpenStructure authors +// +// This library is free software; you can redistribute it and/or modify it under +// the terms of the GNU Lesser General Public License as published by the Free +// Software Foundation; either version 3.0 of the License, or (at your option) +// any later version. +// This library is distributed in the hope that it will be useful, but WITHOUT +// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS +// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more +// details. +// +// You should have received a copy of the GNU Lesser General Public License +// along with this library; if not, write to the Free Software Foundation, Inc., +// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA +//------------------------------------------------------------------------------ + #include <boost/python.hpp> #include <ost/mol/mm/topology.hh> #include <ost/mol/mm/topology_creator.hh> diff --git a/modules/mol/mm/pymod/wrap_mol_mm.cc b/modules/mol/mm/pymod/wrap_mol_mm.cc index 3c174d7db..32e36e04b 100644 --- a/modules/mol/mm/pymod/wrap_mol_mm.cc +++ b/modules/mol/mm/pymod/wrap_mol_mm.cc @@ -1,3 +1,22 @@ +//------------------------------------------------------------------------------ +// This file is part of the OpenStructure project <www.openstructure.org> +// +// Copyright (C) 2008-2015 by the OpenStructure authors +// +// This library is free software; you can redistribute it and/or modify it under +// the terms of the GNU Lesser General Public License as published by the Free +// Software Foundation; either version 3.0 of the License, or (at your option) +// any later version. +// This library is distributed in the hope that it will be useful, but WITHOUT +// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS +// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more +// details. +// +// You should have received a copy of the GNU Lesser General Public License +// along with this library; if not, write to the Free Software Foundation, Inc., +// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA +//------------------------------------------------------------------------------ + #include <boost/python.hpp> diff --git a/modules/mol/mm/src/block_modifiers.hh b/modules/mol/mm/src/block_modifiers.hh index d03c43a1f..b9da2f9a7 100644 --- a/modules/mol/mm/src/block_modifiers.hh +++ b/modules/mol/mm/src/block_modifiers.hh @@ -1,3 +1,22 @@ +//------------------------------------------------------------------------------ +// This file is part of the OpenStructure project <www.openstructure.org> +// +// Copyright (C) 2008-2011 by the OpenStructure authors +// +// This library is free software; you can redistribute it and/or modify it under +// the terms of the GNU Lesser General Public License as published by the Free +// Software Foundation; either version 3.0 of the License, or (at your option) +// any later version. +// This library is distributed in the hope that it will be useful, but WITHOUT +// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS +// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more +// details. +// +// You should have received a copy of the GNU Lesser General Public License +// along with this library; if not, write to the Free Software Foundation, Inc., +// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA +//------------------------------------------------------------------------------ + #ifndef BLOCK_MODIFIERS #define BLOCK_MODIFIERS diff --git a/modules/mol/mm/src/buildingblock.cc b/modules/mol/mm/src/buildingblock.cc index ffb5e662e..2077880c7 100644 --- a/modules/mol/mm/src/buildingblock.cc +++ b/modules/mol/mm/src/buildingblock.cc @@ -1,3 +1,22 @@ +//------------------------------------------------------------------------------ +// This file is part of the OpenStructure project <www.openstructure.org> +// +// Copyright (C) 2008-2015 by the OpenStructure authors +// +// This library is free software; you can redistribute it and/or modify it under +// the terms of the GNU Lesser General Public License as published by the Free +// Software Foundation; either version 3.0 of the License, or (at your option) +// any later version. +// This library is distributed in the hope that it will be useful, but WITHOUT +// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS +// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more +// details. +// +// You should have received a copy of the GNU Lesser General Public License +// along with this library; if not, write to the Free Software Foundation, Inc., +// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA +//------------------------------------------------------------------------------ + #include <ost/mol/mm/buildingblock.hh> namespace ost{ namespace mol{ namespace mm{ diff --git a/modules/mol/mm/src/buildingblock.hh b/modules/mol/mm/src/buildingblock.hh index 9f41ee015..f3283605a 100644 --- a/modules/mol/mm/src/buildingblock.hh +++ b/modules/mol/mm/src/buildingblock.hh @@ -1,3 +1,22 @@ +//------------------------------------------------------------------------------ +// This file is part of the OpenStructure project <www.openstructure.org> +// +// Copyright (C) 2008-2015 by the OpenStructure authors +// +// This library is free software; you can redistribute it and/or modify it under +// the terms of the GNU Lesser General Public License as published by the Free +// Software Foundation; either version 3.0 of the License, or (at your option) +// any later version. +// This library is distributed in the hope that it will be useful, but WITHOUT +// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS +// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more +// details. +// +// You should have received a copy of the GNU Lesser General Public License +// along with this library; if not, write to the Free Software Foundation, Inc., +// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA +//------------------------------------------------------------------------------ + #ifndef OST_FORCE_FIELD_BUILDING_BLOCK_HH #define OST_FORCE_FIELD_BUILDING_BLOCK_HH diff --git a/modules/mol/mm/src/ff_reader.cc b/modules/mol/mm/src/ff_reader.cc index 6196cc288..dd14426c8 100644 --- a/modules/mol/mm/src/ff_reader.cc +++ b/modules/mol/mm/src/ff_reader.cc @@ -1,3 +1,22 @@ +//------------------------------------------------------------------------------ +// This file is part of the OpenStructure project <www.openstructure.org> +// +// Copyright (C) 2008-2015 by the OpenStructure authors +// +// This library is free software; you can redistribute it and/or modify it under +// the terms of the GNU Lesser General Public License as published by the Free +// Software Foundation; either version 3.0 of the License, or (at your option) +// any later version. +// This library is distributed in the hope that it will be useful, but WITHOUT +// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS +// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more +// details. +// +// You should have received a copy of the GNU Lesser General Public License +// along with this library; if not, write to the Free Software Foundation, Inc., +// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA +//------------------------------------------------------------------------------ + #include <ost/mol/mm/ff_reader.hh> diff --git a/modules/mol/mm/src/ff_reader.hh b/modules/mol/mm/src/ff_reader.hh index f166f5f24..f07a74a8c 100644 --- a/modules/mol/mm/src/ff_reader.hh +++ b/modules/mol/mm/src/ff_reader.hh @@ -1,5 +1,24 @@ -#ifndef OST_GROMACS_READER_HH -#define OST_GROMACS_READER_HH +//------------------------------------------------------------------------------ +// This file is part of the OpenStructure project <www.openstructure.org> +// +// Copyright (C) 2008-2015 by the OpenStructure authors +// +// This library is free software; you can redistribute it and/or modify it under +// the terms of the GNU Lesser General Public License as published by the Free +// Software Foundation; either version 3.0 of the License, or (at your option) +// any later version. +// This library is distributed in the hope that it will be useful, but WITHOUT +// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS +// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more +// details. +// +// You should have received a copy of the GNU Lesser General Public License +// along with this library; if not, write to the Free Software Foundation, Inc., +// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA +//------------------------------------------------------------------------------ + +#ifndef OST_FORCEFIELD_READER_HH +#define OST_FORCEFIELD_READER_HH #include <fstream> diff --git a/modules/mol/mm/src/forcefield.cc b/modules/mol/mm/src/forcefield.cc index c4896948f..5e1b1ac71 100644 --- a/modules/mol/mm/src/forcefield.cc +++ b/modules/mol/mm/src/forcefield.cc @@ -1,3 +1,22 @@ +//------------------------------------------------------------------------------ +// This file is part of the OpenStructure project <www.openstructure.org> +// +// Copyright (C) 2008-2015 by the OpenStructure authors +// +// This library is free software; you can redistribute it and/or modify it under +// the terms of the GNU Lesser General Public License as published by the Free +// Software Foundation; either version 3.0 of the License, or (at your option) +// any later version. +// This library is distributed in the hope that it will be useful, but WITHOUT +// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS +// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more +// details. +// +// You should have received a copy of the GNU Lesser General Public License +// along with this library; if not, write to the Free Software Foundation, Inc., +// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA +//------------------------------------------------------------------------------ + #include <ost/mol/mm/forcefield.hh> namespace ost{ namespace mol{ namespace mm{ diff --git a/modules/mol/mm/src/forcefield.hh b/modules/mol/mm/src/forcefield.hh index 0e9a0da64..094e7208c 100644 --- a/modules/mol/mm/src/forcefield.hh +++ b/modules/mol/mm/src/forcefield.hh @@ -1,3 +1,22 @@ +//------------------------------------------------------------------------------ +// This file is part of the OpenStructure project <www.openstructure.org> +// +// Copyright (C) 2008-2015 by the OpenStructure authors +// +// This library is free software; you can redistribute it and/or modify it under +// the terms of the GNU Lesser General Public License as published by the Free +// Software Foundation; either version 3.0 of the License, or (at your option) +// any later version. +// This library is distributed in the hope that it will be useful, but WITHOUT +// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS +// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more +// details. +// +// You should have received a copy of the GNU Lesser General Public License +// along with this library; if not, write to the Free Software Foundation, Inc., +// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA +//------------------------------------------------------------------------------ + #ifndef OST_FORCE_FIELD_HH #define OST_FORCE_FIELD_HH diff --git a/modules/mol/mm/src/gromacs_block_modifiers.cc b/modules/mol/mm/src/gromacs_block_modifiers.cc index 5cad34451..b74b567ea 100644 --- a/modules/mol/mm/src/gromacs_block_modifiers.cc +++ b/modules/mol/mm/src/gromacs_block_modifiers.cc @@ -1,3 +1,22 @@ +//------------------------------------------------------------------------------ +// This file is part of the OpenStructure project <www.openstructure.org> +// +// Copyright (C) 2008-2015 by the OpenStructure authors +// +// This library is free software; you can redistribute it and/or modify it under +// the terms of the GNU Lesser General Public License as published by the Free +// Software Foundation; either version 3.0 of the License, or (at your option) +// any later version. +// This library is distributed in the hope that it will be useful, but WITHOUT +// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS +// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more +// details. +// +// You should have received a copy of the GNU Lesser General Public License +// along with this library; if not, write to the Free Software Foundation, Inc., +// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA +//------------------------------------------------------------------------------ + #include <ost/mol/mm/gromacs_block_modifiers.hh> namespace ost{ namespace mol{ namespace mm{ diff --git a/modules/mol/mm/src/gromacs_block_modifiers.hh b/modules/mol/mm/src/gromacs_block_modifiers.hh index 9f6afd897..086b93f99 100644 --- a/modules/mol/mm/src/gromacs_block_modifiers.hh +++ b/modules/mol/mm/src/gromacs_block_modifiers.hh @@ -1,3 +1,22 @@ +//------------------------------------------------------------------------------ +// This file is part of the OpenStructure project <www.openstructure.org> +// +// Copyright (C) 2008-2015 by the OpenStructure authors +// +// This library is free software; you can redistribute it and/or modify it under +// the terms of the GNU Lesser General Public License as published by the Free +// Software Foundation; either version 3.0 of the License, or (at your option) +// any later version. +// This library is distributed in the hope that it will be useful, but WITHOUT +// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS +// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more +// details. +// +// You should have received a copy of the GNU Lesser General Public License +// along with this library; if not, write to the Free Software Foundation, Inc., +// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA +//------------------------------------------------------------------------------ + #ifndef GROMCACS_BLOCK_MODIFIERS #define GROMCACS_BLOCK_MODIFIERS diff --git a/modules/mol/mm/src/heuristic_block_modifiers.cc b/modules/mol/mm/src/heuristic_block_modifiers.cc index 46b1850ac..3e21681bd 100644 --- a/modules/mol/mm/src/heuristic_block_modifiers.cc +++ b/modules/mol/mm/src/heuristic_block_modifiers.cc @@ -1,3 +1,22 @@ +//------------------------------------------------------------------------------ +// This file is part of the OpenStructure project <www.openstructure.org> +// +// Copyright (C) 2008-2015 by the OpenStructure authors +// +// This library is free software; you can redistribute it and/or modify it under +// the terms of the GNU Lesser General Public License as published by the Free +// Software Foundation; either version 3.0 of the License, or (at your option) +// any later version. +// This library is distributed in the hope that it will be useful, but WITHOUT +// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS +// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more +// details. +// +// You should have received a copy of the GNU Lesser General Public License +// along with this library; if not, write to the Free Software Foundation, Inc., +// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA +//------------------------------------------------------------------------------ + #include <ost/mol/mm/heuristic_block_modifiers.hh> #include <ost/mol/mm/mm_interaction.hh> #include <ost/geom/geom.hh> diff --git a/modules/mol/mm/src/heuristic_block_modifiers.hh b/modules/mol/mm/src/heuristic_block_modifiers.hh index 14fa60457..29fd0d2d8 100644 --- a/modules/mol/mm/src/heuristic_block_modifiers.hh +++ b/modules/mol/mm/src/heuristic_block_modifiers.hh @@ -1,3 +1,22 @@ +//------------------------------------------------------------------------------ +// This file is part of the OpenStructure project <www.openstructure.org> +// +// Copyright (C) 2008-2015 by the OpenStructure authors +// +// This library is free software; you can redistribute it and/or modify it under +// the terms of the GNU Lesser General Public License as published by the Free +// Software Foundation; either version 3.0 of the License, or (at your option) +// any later version. +// This library is distributed in the hope that it will be useful, but WITHOUT +// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS +// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more +// details. +// +// You should have received a copy of the GNU Lesser General Public License +// along with this library; if not, write to the Free Software Foundation, Inc., +// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA +//------------------------------------------------------------------------------ + #ifndef HEURISTIC_BLOCK_MODIFIERS #define HEURISTIC_BLOCK_MODIFIERS diff --git a/modules/mol/mm/src/index.hh b/modules/mol/mm/src/index.hh index 403634a74..93e9d2311 100644 --- a/modules/mol/mm/src/index.hh +++ b/modules/mol/mm/src/index.hh @@ -1,3 +1,22 @@ +//------------------------------------------------------------------------------ +// This file is part of the OpenStructure project <www.openstructure.org> +// +// Copyright (C) 2008-2015 by the OpenStructure authors +// +// This library is free software; you can redistribute it and/or modify it under +// the terms of the GNU Lesser General Public License as published by the Free +// Software Foundation; either version 3.0 of the License, or (at your option) +// any later version. +// This library is distributed in the hope that it will be useful, but WITHOUT +// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS +// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more +// details. +// +// You should have received a copy of the GNU Lesser General Public License +// along with this library; if not, write to the Free Software Foundation, Inc., +// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA +//------------------------------------------------------------------------------ + #ifndef OST_MM_INDEX_HH #define OST_MM_INDEX_HH diff --git a/modules/mol/mm/src/interaction.cc b/modules/mol/mm/src/interaction.cc index 2831edbbc..72f6ba8f0 100644 --- a/modules/mol/mm/src/interaction.cc +++ b/modules/mol/mm/src/interaction.cc @@ -1,3 +1,22 @@ +//------------------------------------------------------------------------------ +// This file is part of the OpenStructure project <www.openstructure.org> +// +// Copyright (C) 2008-2015 by the OpenStructure authors +// +// This library is free software; you can redistribute it and/or modify it under +// the terms of the GNU Lesser General Public License as published by the Free +// Software Foundation; either version 3.0 of the License, or (at your option) +// any later version. +// This library is distributed in the hope that it will be useful, but WITHOUT +// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS +// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more +// details. +// +// You should have received a copy of the GNU Lesser General Public License +// along with this library; if not, write to the Free Software Foundation, Inc., +// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA +//------------------------------------------------------------------------------ + #include <ost/mol/mm/interaction.hh> namespace ost { namespace mol{ namespace mm{ diff --git a/modules/mol/mm/src/interaction.hh b/modules/mol/mm/src/interaction.hh index 0d495b275..12762e244 100644 --- a/modules/mol/mm/src/interaction.hh +++ b/modules/mol/mm/src/interaction.hh @@ -1,3 +1,22 @@ +//------------------------------------------------------------------------------ +// This file is part of the OpenStructure project <www.openstructure.org> +// +// Copyright (C) 2008-2015 by the OpenStructure authors +// +// This library is free software; you can redistribute it and/or modify it under +// the terms of the GNU Lesser General Public License as published by the Free +// Software Foundation; either version 3.0 of the License, or (at your option) +// any later version. +// This library is distributed in the hope that it will be useful, but WITHOUT +// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS +// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more +// details. +// +// You should have received a copy of the GNU Lesser General Public License +// along with this library; if not, write to the Free Software Foundation, Inc., +// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA +//------------------------------------------------------------------------------ + #ifndef OST_MM_INTERACTION_HH #define OST_MM_INTERACTION_HH diff --git a/modules/mol/mm/src/modeller.cc b/modules/mol/mm/src/modeller.cc index 1fedbae36..c9913f803 100644 --- a/modules/mol/mm/src/modeller.cc +++ b/modules/mol/mm/src/modeller.cc @@ -1,3 +1,22 @@ +//------------------------------------------------------------------------------ +// This file is part of the OpenStructure project <www.openstructure.org> +// +// Copyright (C) 2008-2015 by the OpenStructure authors +// +// This library is free software; you can redistribute it and/or modify it under +// the terms of the GNU Lesser General Public License as published by the Free +// Software Foundation; either version 3.0 of the License, or (at your option) +// any later version. +// This library is distributed in the hope that it will be useful, but WITHOUT +// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS +// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more +// details. +// +// You should have received a copy of the GNU Lesser General Public License +// along with this library; if not, write to the Free Software Foundation, Inc., +// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA +//------------------------------------------------------------------------------ + #include <ost/mol/mm/modeller.hh> diff --git a/modules/mol/mm/src/modeller.hh b/modules/mol/mm/src/modeller.hh index 86037d320..17eecb02a 100644 --- a/modules/mol/mm/src/modeller.hh +++ b/modules/mol/mm/src/modeller.hh @@ -1,3 +1,22 @@ +//------------------------------------------------------------------------------ +// This file is part of the OpenStructure project <www.openstructure.org> +// +// Copyright (C) 2008-2015 by the OpenStructure authors +// +// This library is free software; you can redistribute it and/or modify it under +// the terms of the GNU Lesser General Public License as published by the Free +// Software Foundation; either version 3.0 of the License, or (at your option) +// any later version. +// This library is distributed in the hope that it will be useful, but WITHOUT +// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS +// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more +// details. +// +// You should have received a copy of the GNU Lesser General Public License +// along with this library; if not, write to the Free Software Foundation, Inc., +// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA +//------------------------------------------------------------------------------ + #ifndef OST_MMMODELLER_HH #define OST_MMMODELLER_HH diff --git a/modules/mol/mm/src/observer.cc b/modules/mol/mm/src/observer.cc index 5ea1cbe72..0364715c4 100644 --- a/modules/mol/mm/src/observer.cc +++ b/modules/mol/mm/src/observer.cc @@ -1,3 +1,22 @@ +//------------------------------------------------------------------------------ +// This file is part of the OpenStructure project <www.openstructure.org> +// +// Copyright (C) 2008-2015 by the OpenStructure authors +// +// This library is free software; you can redistribute it and/or modify it under +// the terms of the GNU Lesser General Public License as published by the Free +// Software Foundation; either version 3.0 of the License, or (at your option) +// any later version. +// This library is distributed in the hope that it will be useful, but WITHOUT +// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS +// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more +// details. +// +// You should have received a copy of the GNU Lesser General Public License +// along with this library; if not, write to the Free Software Foundation, Inc., +// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA +//------------------------------------------------------------------------------ + #include <ost/mol/mm/observer.hh> #include <OpenMM.h> diff --git a/modules/mol/mm/src/observer.hh b/modules/mol/mm/src/observer.hh index 815db37e0..fea6fceb6 100644 --- a/modules/mol/mm/src/observer.hh +++ b/modules/mol/mm/src/observer.hh @@ -1,3 +1,22 @@ +//------------------------------------------------------------------------------ +// This file is part of the OpenStructure project <www.openstructure.org> +// +// Copyright (C) 2008-2015 by the OpenStructure authors +// +// This library is free software; you can redistribute it and/or modify it under +// the terms of the GNU Lesser General Public License as published by the Free +// Software Foundation; either version 3.0 of the License, or (at your option) +// any later version. +// This library is distributed in the hope that it will be useful, but WITHOUT +// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS +// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more +// details. +// +// You should have received a copy of the GNU Lesser General Public License +// along with this library; if not, write to the Free Software Foundation, Inc., +// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA +//------------------------------------------------------------------------------ + #ifndef OST_MM_OBSERVER_HH #define OST_MM_OBSERVER_HH diff --git a/modules/mol/mm/src/settings.hh b/modules/mol/mm/src/settings.hh index 59b43bc79..69d4911a0 100644 --- a/modules/mol/mm/src/settings.hh +++ b/modules/mol/mm/src/settings.hh @@ -1,3 +1,22 @@ +//------------------------------------------------------------------------------ +// This file is part of the OpenStructure project <www.openstructure.org> +// +// Copyright (C) 2008-2015 by the OpenStructure authors +// +// This library is free software; you can redistribute it and/or modify it under +// the terms of the GNU Lesser General Public License as published by the Free +// Software Foundation; either version 3.0 of the License, or (at your option) +// any later version. +// This library is distributed in the hope that it will be useful, but WITHOUT +// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS +// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more +// details. +// +// You should have received a copy of the GNU Lesser General Public License +// along with this library; if not, write to the Free Software Foundation, Inc., +// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA +//------------------------------------------------------------------------------ + #ifndef OST_MM_SETTINGS_HH #define OST_MM_SETTINGS_HH diff --git a/modules/mol/mm/src/simulation.cc b/modules/mol/mm/src/simulation.cc index 3697593f7..37ca9263f 100644 --- a/modules/mol/mm/src/simulation.cc +++ b/modules/mol/mm/src/simulation.cc @@ -1,3 +1,22 @@ +//------------------------------------------------------------------------------ +// This file is part of the OpenStructure project <www.openstructure.org> +// +// Copyright (C) 2008-2015 by the OpenStructure authors +// +// This library is free software; you can redistribute it and/or modify it under +// the terms of the GNU Lesser General Public License as published by the Free +// Software Foundation; either version 3.0 of the License, or (at your option) +// any later version. +// This library is distributed in the hope that it will be useful, but WITHOUT +// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS +// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more +// details. +// +// You should have received a copy of the GNU Lesser General Public License +// along with this library; if not, write to the Free Software Foundation, Inc., +// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA +//------------------------------------------------------------------------------ + #include <ost/mol/mm/simulation.hh> #include <OpenMM.h> diff --git a/modules/mol/mm/src/simulation.hh b/modules/mol/mm/src/simulation.hh index 9d3a295e9..08b5463ae 100644 --- a/modules/mol/mm/src/simulation.hh +++ b/modules/mol/mm/src/simulation.hh @@ -1,3 +1,22 @@ +//------------------------------------------------------------------------------ +// This file is part of the OpenStructure project <www.openstructure.org> +// +// Copyright (C) 2008-2015 by the OpenStructure authors +// +// This library is free software; you can redistribute it and/or modify it under +// the terms of the GNU Lesser General Public License as published by the Free +// Software Foundation; either version 3.0 of the License, or (at your option) +// any later version. +// This library is distributed in the hope that it will be useful, but WITHOUT +// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS +// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more +// details. +// +// You should have received a copy of the GNU Lesser General Public License +// along with this library; if not, write to the Free Software Foundation, Inc., +// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA +//------------------------------------------------------------------------------ + #ifndef OST_SIMULATION_HH #define OST_SIMULATION_HH diff --git a/modules/mol/mm/src/state_extractor.cc b/modules/mol/mm/src/state_extractor.cc index 968f5db34..478174f7f 100644 --- a/modules/mol/mm/src/state_extractor.cc +++ b/modules/mol/mm/src/state_extractor.cc @@ -1,3 +1,22 @@ +//------------------------------------------------------------------------------ +// This file is part of the OpenStructure project <www.openstructure.org> +// +// Copyright (C) 2008-2015 by the OpenStructure authors +// +// This library is free software; you can redistribute it and/or modify it under +// the terms of the GNU Lesser General Public License as published by the Free +// Software Foundation; either version 3.0 of the License, or (at your option) +// any later version. +// This library is distributed in the hope that it will be useful, but WITHOUT +// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS +// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more +// details. +// +// You should have received a copy of the GNU Lesser General Public License +// along with this library; if not, write to the Free Software Foundation, Inc., +// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA +//------------------------------------------------------------------------------ + #include <ost/mol/mm/state_extractor.hh> #include <OpenMM.h> diff --git a/modules/mol/mm/src/state_extractor.hh b/modules/mol/mm/src/state_extractor.hh index f8c1f188c..f866f3a70 100644 --- a/modules/mol/mm/src/state_extractor.hh +++ b/modules/mol/mm/src/state_extractor.hh @@ -1,3 +1,22 @@ +//------------------------------------------------------------------------------ +// This file is part of the OpenStructure project <www.openstructure.org> +// +// Copyright (C) 2008-2015 by the OpenStructure authors +// +// This library is free software; you can redistribute it and/or modify it under +// the terms of the GNU Lesser General Public License as published by the Free +// Software Foundation; either version 3.0 of the License, or (at your option) +// any later version. +// This library is distributed in the hope that it will be useful, but WITHOUT +// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS +// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more +// details. +// +// You should have received a copy of the GNU Lesser General Public License +// along with this library; if not, write to the Free Software Foundation, Inc., +// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA +//------------------------------------------------------------------------------ + #ifndef OST_STATE_EXTRACTOR_HH #define OST_STATE_EXTRACTOR_HH diff --git a/modules/mol/mm/src/steep.cc b/modules/mol/mm/src/steep.cc index 05c4d96d3..94d987d2c 100644 --- a/modules/mol/mm/src/steep.cc +++ b/modules/mol/mm/src/steep.cc @@ -1,3 +1,22 @@ +//------------------------------------------------------------------------------ +// This file is part of the OpenStructure project <www.openstructure.org> +// +// Copyright (C) 2008-2015 by the OpenStructure authors +// +// This library is free software; you can redistribute it and/or modify it under +// the terms of the GNU Lesser General Public License as published by the Free +// Software Foundation; either version 3.0 of the License, or (at your option) +// any later version. +// This library is distributed in the hope that it will be useful, but WITHOUT +// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS +// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more +// details. +// +// You should have received a copy of the GNU Lesser General Public License +// along with this library; if not, write to the Free Software Foundation, Inc., +// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA +//------------------------------------------------------------------------------ + #include <ost/mol/mm/steep.hh> #include <OpenMM.h> diff --git a/modules/mol/mm/src/steep.hh b/modules/mol/mm/src/steep.hh index c4fac4494..1b059ffb0 100644 --- a/modules/mol/mm/src/steep.hh +++ b/modules/mol/mm/src/steep.hh @@ -1,3 +1,22 @@ +//------------------------------------------------------------------------------ +// This file is part of the OpenStructure project <www.openstructure.org> +// +// Copyright (C) 2008-2015 by the OpenStructure authors +// +// This library is free software; you can redistribute it and/or modify it under +// the terms of the GNU Lesser General Public License as published by the Free +// Software Foundation; either version 3.0 of the License, or (at your option) +// any later version. +// This library is distributed in the hope that it will be useful, but WITHOUT +// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS +// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more +// details. +// +// You should have received a copy of the GNU Lesser General Public License +// along with this library; if not, write to the Free Software Foundation, Inc., +// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA +//------------------------------------------------------------------------------ + #ifndef OST_STEEP_H_ #define OST_STEEP_H_ diff --git a/modules/mol/mm/src/system_creator.cc b/modules/mol/mm/src/system_creator.cc index 02ec5bec2..5394ddf86 100644 --- a/modules/mol/mm/src/system_creator.cc +++ b/modules/mol/mm/src/system_creator.cc @@ -1,3 +1,22 @@ +//------------------------------------------------------------------------------ +// This file is part of the OpenStructure project <www.openstructure.org> +// +// Copyright (C) 2008-2015 by the OpenStructure authors +// +// This library is free software; you can redistribute it and/or modify it under +// the terms of the GNU Lesser General Public License as published by the Free +// Software Foundation; either version 3.0 of the License, or (at your option) +// any later version. +// This library is distributed in the hope that it will be useful, but WITHOUT +// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS +// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more +// details. +// +// You should have received a copy of the GNU Lesser General Public License +// along with this library; if not, write to the Free Software Foundation, Inc., +// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA +//------------------------------------------------------------------------------ + #include <ost/mol/mm/system_creator.hh> #include <OpenMM.h> diff --git a/modules/mol/mm/src/system_creator.hh b/modules/mol/mm/src/system_creator.hh index 3dc507c1a..ad480ab2d 100644 --- a/modules/mol/mm/src/system_creator.hh +++ b/modules/mol/mm/src/system_creator.hh @@ -1,3 +1,22 @@ +//------------------------------------------------------------------------------ +// This file is part of the OpenStructure project <www.openstructure.org> +// +// Copyright (C) 2008-2015 by the OpenStructure authors +// +// This library is free software; you can redistribute it and/or modify it under +// the terms of the GNU Lesser General Public License as published by the Free +// Software Foundation; either version 3.0 of the License, or (at your option) +// any later version. +// This library is distributed in the hope that it will be useful, but WITHOUT +// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS +// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more +// details. +// +// You should have received a copy of the GNU Lesser General Public License +// along with this library; if not, write to the Free Software Foundation, Inc., +// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA +//------------------------------------------------------------------------------ + #ifndef OST_SYSTEM_CREATOR_HH #define OST_SYSTEM_CREATOR_HH diff --git a/modules/mol/mm/src/topology.cc b/modules/mol/mm/src/topology.cc index 0c4076e43..3a3676449 100644 --- a/modules/mol/mm/src/topology.cc +++ b/modules/mol/mm/src/topology.cc @@ -1,3 +1,22 @@ +//------------------------------------------------------------------------------ +// This file is part of the OpenStructure project <www.openstructure.org> +// +// Copyright (C) 2008-2015 by the OpenStructure authors +// +// This library is free software; you can redistribute it and/or modify it under +// the terms of the GNU Lesser General Public License as published by the Free +// Software Foundation; either version 3.0 of the License, or (at your option) +// any later version. +// This library is distributed in the hope that it will be useful, but WITHOUT +// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS +// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more +// details. +// +// You should have received a copy of the GNU Lesser General Public License +// along with this library; if not, write to the Free Software Foundation, Inc., +// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA +//------------------------------------------------------------------------------ + #include <ost/mol/mm/topology.hh> diff --git a/modules/mol/mm/src/topology.hh b/modules/mol/mm/src/topology.hh index 54a945c20..b626169fa 100644 --- a/modules/mol/mm/src/topology.hh +++ b/modules/mol/mm/src/topology.hh @@ -1,3 +1,22 @@ +//------------------------------------------------------------------------------ +// This file is part of the OpenStructure project <www.openstructure.org> +// +// Copyright (C) 2008-2015 by the OpenStructure authors +// +// This library is free software; you can redistribute it and/or modify it under +// the terms of the GNU Lesser General Public License as published by the Free +// Software Foundation; either version 3.0 of the License, or (at your option) +// any later version. +// This library is distributed in the hope that it will be useful, but WITHOUT +// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS +// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more +// details. +// +// You should have received a copy of the GNU Lesser General Public License +// along with this library; if not, write to the Free Software Foundation, Inc., +// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA +//------------------------------------------------------------------------------ + #ifndef OST_MM_TOPOLOGY_HH #define OST_MM_TOPOLOGY_HH diff --git a/modules/mol/mm/src/topology_creator.cc b/modules/mol/mm/src/topology_creator.cc index fcf9af582..3a461dd56 100644 --- a/modules/mol/mm/src/topology_creator.cc +++ b/modules/mol/mm/src/topology_creator.cc @@ -1,3 +1,22 @@ +//------------------------------------------------------------------------------ +// This file is part of the OpenStructure project <www.openstructure.org> +// +// Copyright (C) 2008-2015 by the OpenStructure authors +// +// This library is free software; you can redistribute it and/or modify it under +// the terms of the GNU Lesser General Public License as published by the Free +// Software Foundation; either version 3.0 of the License, or (at your option) +// any later version. +// This library is distributed in the hope that it will be useful, but WITHOUT +// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS +// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more +// details. +// +// You should have received a copy of the GNU Lesser General Public License +// along with this library; if not, write to the Free Software Foundation, Inc., +// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA +//------------------------------------------------------------------------------ + #include <ost/mol/mm/topology_creator.hh> #include <ost/mol/mm/mm_modeller.hh> diff --git a/modules/mol/mm/src/topology_creator.hh b/modules/mol/mm/src/topology_creator.hh index 7d95ac1bd..ced7d7904 100644 --- a/modules/mol/mm/src/topology_creator.hh +++ b/modules/mol/mm/src/topology_creator.hh @@ -1,3 +1,22 @@ +//------------------------------------------------------------------------------ +// This file is part of the OpenStructure project <www.openstructure.org> +// +// Copyright (C) 2008-2015 by the OpenStructure authors +// +// This library is free software; you can redistribute it and/or modify it under +// the terms of the GNU Lesser General Public License as published by the Free +// Software Foundation; either version 3.0 of the License, or (at your option) +// any later version. +// This library is distributed in the hope that it will be useful, but WITHOUT +// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS +// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more +// details. +// +// You should have received a copy of the GNU Lesser General Public License +// along with this library; if not, write to the Free Software Foundation, Inc., +// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA +//------------------------------------------------------------------------------ + #ifndef OST_TOPOLOGY_CREATOR_HH #define OST_TOPOLOGY_CREATOR_HH @@ -35,4 +54,4 @@ public: }}}//ns -#endif \ No newline at end of file +#endif diff --git a/modules/mol/mm/tests/test_block.cc b/modules/mol/mm/tests/test_block.cc index ce2a9d876..20aaf2a73 100644 --- a/modules/mol/mm/tests/test_block.cc +++ b/modules/mol/mm/tests/test_block.cc @@ -1,3 +1,22 @@ +//------------------------------------------------------------------------------ +// This file is part of the OpenStructure project <www.openstructure.org> +// +// Copyright (C) 2008-2015 by the OpenStructure authors +// +// This library is free software; you can redistribute it and/or modify it under +// the terms of the GNU Lesser General Public License as published by the Free +// Software Foundation; either version 3.0 of the License, or (at your option) +// any later version. +// This library is distributed in the hope that it will be useful, but WITHOUT +// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS +// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more +// details. +// +// You should have received a copy of the GNU Lesser General Public License +// along with this library; if not, write to the Free Software Foundation, Inc., +// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA +//------------------------------------------------------------------------------ + #include <boost/test/unit_test.hpp> #include <boost/test/auto_unit_test.hpp> #include <ost/mol/mm/interaction.hh> diff --git a/modules/mol/mm/tests/test_block_modifiers.cc b/modules/mol/mm/tests/test_block_modifiers.cc index 0baa79d28..0c60dd268 100644 --- a/modules/mol/mm/tests/test_block_modifiers.cc +++ b/modules/mol/mm/tests/test_block_modifiers.cc @@ -1,3 +1,22 @@ +//------------------------------------------------------------------------------ +// This file is part of the OpenStructure project <www.openstructure.org> +// +// Copyright (C) 2008-2015 by the OpenStructure authors +// +// This library is free software; you can redistribute it and/or modify it under +// the terms of the GNU Lesser General Public License as published by the Free +// Software Foundation; either version 3.0 of the License, or (at your option) +// any later version. +// This library is distributed in the hope that it will be useful, but WITHOUT +// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS +// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more +// details. +// +// You should have received a copy of the GNU Lesser General Public License +// along with this library; if not, write to the Free Software Foundation, Inc., +// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA +//------------------------------------------------------------------------------ + #include <boost/test/unit_test.hpp> #include <boost/test/auto_unit_test.hpp> #include <ost/mol/mm/interaction.hh> diff --git a/modules/mol/mm/tests/test_forcefield.cc b/modules/mol/mm/tests/test_forcefield.cc index e8c649354..cda6b18df 100644 --- a/modules/mol/mm/tests/test_forcefield.cc +++ b/modules/mol/mm/tests/test_forcefield.cc @@ -1,3 +1,22 @@ +//------------------------------------------------------------------------------ +// This file is part of the OpenStructure project <www.openstructure.org> +// +// Copyright (C) 2008-2015 by the OpenStructure authors +// +// This library is free software; you can redistribute it and/or modify it under +// the terms of the GNU Lesser General Public License as published by the Free +// Software Foundation; either version 3.0 of the License, or (at your option) +// any later version. +// This library is distributed in the hope that it will be useful, but WITHOUT +// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS +// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more +// details. +// +// You should have received a copy of the GNU Lesser General Public License +// along with this library; if not, write to the Free Software Foundation, Inc., +// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA +//------------------------------------------------------------------------------ + #include <boost/test/unit_test.hpp> #include <boost/test/auto_unit_test.hpp> #include <ost/mol/mm/settings.hh> diff --git a/modules/mol/mm/tests/test_interaction.cc b/modules/mol/mm/tests/test_interaction.cc index 4e2f645fa..d021c5e71 100644 --- a/modules/mol/mm/tests/test_interaction.cc +++ b/modules/mol/mm/tests/test_interaction.cc @@ -1,3 +1,22 @@ +//------------------------------------------------------------------------------ +// This file is part of the OpenStructure project <www.openstructure.org> +// +// Copyright (C) 2008-2015 by the OpenStructure authors +// +// This library is free software; you can redistribute it and/or modify it under +// the terms of the GNU Lesser General Public License as published by the Free +// Software Foundation; either version 3.0 of the License, or (at your option) +// any later version. +// This library is distributed in the hope that it will be useful, but WITHOUT +// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS +// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more +// details. +// +// You should have received a copy of the GNU Lesser General Public License +// along with this library; if not, write to the Free Software Foundation, Inc., +// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA +//------------------------------------------------------------------------------ + #include <boost/test/unit_test.hpp> #include <boost/test/auto_unit_test.hpp> #include <ost/mol/mm/interaction.hh> diff --git a/modules/mol/mm/tests/test_simulation.cc b/modules/mol/mm/tests/test_simulation.cc index 9c08182a4..cfe2b6081 100644 --- a/modules/mol/mm/tests/test_simulation.cc +++ b/modules/mol/mm/tests/test_simulation.cc @@ -1,3 +1,22 @@ +//------------------------------------------------------------------------------ +// This file is part of the OpenStructure project <www.openstructure.org> +// +// Copyright (C) 2008-2015 by the OpenStructure authors +// +// This library is free software; you can redistribute it and/or modify it under +// the terms of the GNU Lesser General Public License as published by the Free +// Software Foundation; either version 3.0 of the License, or (at your option) +// any later version. +// This library is distributed in the hope that it will be useful, but WITHOUT +// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS +// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more +// details. +// +// You should have received a copy of the GNU Lesser General Public License +// along with this library; if not, write to the Free Software Foundation, Inc., +// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA +//------------------------------------------------------------------------------ + #include <boost/test/unit_test.hpp> #include <boost/test/auto_unit_test.hpp> #include <ost/mol/mm/settings.hh> diff --git a/modules/mol/mm/tests/test_topology.cc b/modules/mol/mm/tests/test_topology.cc index 09636628d..d10bd05e6 100644 --- a/modules/mol/mm/tests/test_topology.cc +++ b/modules/mol/mm/tests/test_topology.cc @@ -1,3 +1,22 @@ +//------------------------------------------------------------------------------ +// This file is part of the OpenStructure project <www.openstructure.org> +// +// Copyright (C) 2008-2015 by the OpenStructure authors +// +// This library is free software; you can redistribute it and/or modify it under +// the terms of the GNU Lesser General Public License as published by the Free +// Software Foundation; either version 3.0 of the License, or (at your option) +// any later version. +// This library is distributed in the hope that it will be useful, but WITHOUT +// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS +// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more +// details. +// +// You should have received a copy of the GNU Lesser General Public License +// along with this library; if not, write to the Free Software Foundation, Inc., +// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA +//------------------------------------------------------------------------------ + #include <boost/test/unit_test.hpp> #include <boost/test/auto_unit_test.hpp> #include <ost/mol/mm/topology.hh> diff --git a/modules/mol/mm/tests/tests.cc b/modules/mol/mm/tests/tests.cc index 8fb5bbd47..6a7e493fa 100644 --- a/modules/mol/mm/tests/tests.cc +++ b/modules/mol/mm/tests/tests.cc @@ -1,7 +1,7 @@ //------------------------------------------------------------------------------ // This file is part of the OpenStructure project <www.openstructure.org> // -// Copyright (C) 2008-2011 by the OpenStructure authors +// Copyright (C) 2008-2015 by the OpenStructure authors // // This library is free software; you can redistribute it and/or modify it under // the terms of the GNU Lesser General Public License as published by the Free @@ -16,6 +16,7 @@ // along with this library; if not, write to the Free Software Foundation, Inc., // 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA //------------------------------------------------------------------------------ + #define BOOST_TEST_DYN_LINK #define BOOST_TEST_MODULE ost_mol_base #define BOOST_AUTO_TEST_MAIN -- GitLab