diff --git a/modules/mol/mm/pymod/export_block_modifiers.cc b/modules/mol/mm/pymod/export_block_modifiers.cc index 253d824c572598bbcfa5b0542e9243c28f20d78f..337e36ae2305ff8a2ba45eaaa198e6e6e9313207 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 4186bd9c20267f76a3082bd1616544f5b026c5f0..6ea1f4e2e13277c5c8031653ad932bddefbb3052 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 ea77c2e4b5b6fd9b24241277d346974d28f7e856..8e64fb01db4ed00fc502d5f8906ff33bd4c4a2d0 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 76659583454fb509e7ad40c89f8e98a16fae6b46..666e2dca0cbc9e94ddfc113b69f30ad21b7947d1 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 ace9ccbd2aaee6e4f97980adf72695be8796f535..240f22f4b10c698d11377e49ae76888894aec78a 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 5af850baea30bbad5c4a1e3fd4245b9ac456e0e1..8c3084359a68ee76fab04cdf8b4413a6cde5443c 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 8b1280425c3053f345e806f227cb13a303a5c472..c0f71609d11a1bc5f2b1a40cb98c9cababee0d00 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 896236847da4f60bedd925d04e1712c3bdd740d8..47a0236125a4033bc8529d10c5107d62c290c1e0 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 7ba82b40b30bf328e548e3fee610191da97c2ad6..9a34525a6428ce5a7410d814428e276a53aecf09 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 d8d868fd628d8ba19e48f135aa8701aae732113f..7e38401d68d3888b89e0cd9d021e07077b9b7c9b 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 9b7a6f93e9be1a09c7442a822e4fcb310019eb70..7d30173602d9a20a6aa6acc57a9a7c5491bff98e 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 05198b22d32e2e53e4881535f244692039e1a530..9b26eed6aaa7154c95728654766befe4f199b1d9 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 3c174d7db541b29d45bd0d75e3082812efbf3892..32e36e04b3bff7e01e4d50dda9a6c1a2f98a6173 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 d03c43a1f9d1e71363b757f7436fcc8e28567ef5..b9da2f9a77999dd0ff0eeb960b4591e81f5e0d98 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 ffb5e662e858d2bb609cde7d5958994302715d84..2077880c7eb0e58c3096ec0f545197a43d966f3c 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 9f41ee0158c4fc7e024ae4e5b18b55de0cda93e2..f3283605ab353c86d3a411eceab9aca449d64571 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 6196cc2886e6c75d450d316711035baca28b27d9..dd14426c8f13145fdf66ee32e07c5d89130e18ce 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 f166f5f2404aaaec93bb9053f412620a5f85c773..f07a74a8c75666408de21a6ea00f84e15aceb6eb 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 c4896948fb568e1b54c94de08822b8acc89f0992..5e1b1ac7102f9fbb32841016a6a4d179078a146a 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 0e9a0da64b95774ec42bedcc0b2e5fd35e21e7cc..094e7208cc5da4c3a3f4c2706c1771c21d26b371 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 5cad3445186d2e1197000e26d72efb590b699ad0..b74b567ea03ff4c8f6737fb42e5ae79400927e32 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 9f6afd897a5e9b77729e6ebae51674a1a7fc0770..086b93f998739fe341f3111acb36c5e27569274c 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 46b1850acbb73b0399a79ead0173d7505eaf7ba0..3e21681bd1a5ca723bf4c8fb5bfe886c586202f2 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 14fa60457b643862a2b0c164feb6d99f352d1800..29fd0d2d89fc0777b6fdb31a3f43412a847342be 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 403634a74997c0372315f618e40e3aa617e1bb72..93e9d2311b48c39fc950f23f16aa68c7426172ba 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 2831edbbce1bd45b05d168e8f0b68d5ef41b64b7..72f6ba8f01b54f5c33b2dd364bc204611f5b818a 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 0d495b27537ff9e35d13d78e6fc021e237bf6fd6..12762e244b1c608a795ef47421960a73fee37763 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 1fedbae36fc9be04e7ae8e47d7a64da9da46945f..c9913f80350e5e25ead33aa709e7bbaf79dba8fe 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 86037d320b343e01fc31b2cecbe699d82ec0be63..17eecb02ae1c959eca6ceb4937c6388ca798704c 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 5ea1cbe7292a583df2d6fa944d58d1fd10f6986a..0364715c42d4a3d551b99cb19bbe5b1ae891bbe3 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 815db37e0c3141af724c6204cf0b5f8bf65cf0e8..fea6fceb6c7768539f18851114cc8ca7708cd5cd 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 59b43bc79e257d0fac5cf7f1e5e2a88dc2010b3d..69d4911a0443e691909072650520df369e878ee9 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 3697593f7bce20d03841ff27991f48197fc39447..37ca9263f4763d8301afce843d6300553a0be489 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 9d3a295e999cba7e4eb5a99f5ccef17d762db7d0..08b5463ae494e8b2351ca659f13fb9940bdfb6d3 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 968f5db34a5fd59da66a8018d2bf3296cfcf8730..478174f7f37cb9ac591094c5a0d0fab70807e34e 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 f8c1f188cb9562cc8cdd660de12b537eca6a9abc..f866f3a708aadb42eb508448221f4f5f86b8fd52 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 05c4d96d3489a90c90f468c22a6627cdb1f3a113..94d987d2c7ee8d568f51cb3a469a614ab0bfae72 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 c4fac44949989a9a936ada894d1a9ab84deba768..1b059ffb0ea8dfbd16c42a5596fe0940ee04694d 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 02ec5bec27914ff093eff78c586c1a686340945a..5394ddf86754ea5f84395d4bafac6fcc05b255d4 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 3dc507c1ad4a9cb8d4aa4123dd5b397dbf4d6626..ad480ab2ddcd2da23a9a459017b2799e15f7a98f 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 0c4076e43401e7523d1e41b54079f2da00d218d9..3a36764495aca351b5e4bf2d9cd76bffe457307a 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 54a945c20cfd64a983de8120a1cfa938416b4a03..b626169faf1c45b5b85b6b5c4fe667b6c1a67841 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 fcf9af58200f857e9402815d555e8f9ebd7277ea..3a461dd561509bb6063d25b2a5c16b2141e1037a 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 7d95ac1bd63186bcaf10cc98037c09392c1fc65b..ced7d790467b3cdafdaaa67b79ebbc9c70392e42 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 ce2a9d8768aeefdbd32983455c1f94e22450e231..20aaf2a7328779ae52cf2c6e7b0626b3f94e78e7 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 0baa79d28c0bd78fbc8d3562323077033647fd07..0c60dd268b4f06b02204c6eae8c075d650701685 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 e8c649354efcfb0c3baa7b6d0d98f1585b957212..cda6b18df4a8c38e315aef5e3849642e083d0c18 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 4e2f645faf517823e7baf4497a5d6264f7e50a6f..d021c5e711cfdc8b876b1d3a42a52310d8eb0db0 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 9c08182a4c63ca96a1ae7dd3d7cffbce068b226b..cfe2b608136a315fd89aa72bf0685f2bcfc8c3ee 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 09636628d94a96141bc0c5410e428db3867697ca..d10bd05e6427ab64da9b54adb2fd076dd05370d6 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 8fb5bbd47707615b1702765ff363cf8525716942..6a7e493fad5d292938130abacbe3c60511b5729e 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