From eb94ddfe1c7036e87ec3027d0ddc08ead45efb56 Mon Sep 17 00:00:00 2001
From: marco <marco@5a81b35b-ba03-0410-adc8-b2c5c5119f08>
Date: Sat, 6 Mar 2010 11:26:09 +0000
Subject: [PATCH] remove orphan directory
git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@1780 5a81b35b-ba03-0410-adc8-b2c5c5119f08
---
modules/mol/pymod/CMakeLists.txt | 22 ----
modules/mol/pymod/__init__.py | 19 ---
modules/mol/pymod/export_atom.cc | 85 ------------
modules/mol/pymod/export_atom_view.cc | 51 --------
modules/mol/pymod/export_bond.cc | 59 ---------
modules/mol/pymod/export_bounding_box.cc | 73 -----------
modules/mol/pymod/export_chain.cc | 81 ------------
modules/mol/pymod/export_chain_view.cc | 95 --------------
modules/mol/pymod/export_coord_group.cc | 41 ------
modules/mol/pymod/export_editors.cc | 91 -------------
modules/mol/pymod/export_entity.cc | 103 ---------------
modules/mol/pymod/export_entity_view.cc | 158 -----------------------
modules/mol/pymod/export_property_id.cc | 71 ----------
modules/mol/pymod/export_query.cc | 63 ---------
modules/mol/pymod/export_residue.cc | 141 --------------------
modules/mol/pymod/export_residue_view.cc | 81 ------------
modules/mol/pymod/export_surface.cc | 80 ------------
modules/mol/pymod/export_torsion.cc | 68 ----------
modules/mol/pymod/export_visitor.cc | 75 -----------
modules/mol/pymod/wrap_mol.cc | 59 ---------
20 files changed, 1516 deletions(-)
delete mode 100644 modules/mol/pymod/CMakeLists.txt
delete mode 100644 modules/mol/pymod/__init__.py
delete mode 100644 modules/mol/pymod/export_atom.cc
delete mode 100644 modules/mol/pymod/export_atom_view.cc
delete mode 100644 modules/mol/pymod/export_bond.cc
delete mode 100644 modules/mol/pymod/export_bounding_box.cc
delete mode 100644 modules/mol/pymod/export_chain.cc
delete mode 100644 modules/mol/pymod/export_chain_view.cc
delete mode 100644 modules/mol/pymod/export_coord_group.cc
delete mode 100644 modules/mol/pymod/export_editors.cc
delete mode 100644 modules/mol/pymod/export_entity.cc
delete mode 100644 modules/mol/pymod/export_entity_view.cc
delete mode 100644 modules/mol/pymod/export_property_id.cc
delete mode 100644 modules/mol/pymod/export_query.cc
delete mode 100644 modules/mol/pymod/export_residue.cc
delete mode 100644 modules/mol/pymod/export_residue_view.cc
delete mode 100644 modules/mol/pymod/export_surface.cc
delete mode 100644 modules/mol/pymod/export_torsion.cc
delete mode 100644 modules/mol/pymod/export_visitor.cc
delete mode 100644 modules/mol/pymod/wrap_mol.cc
diff --git a/modules/mol/pymod/CMakeLists.txt b/modules/mol/pymod/CMakeLists.txt
deleted file mode 100644
index 847f78aba..000000000
--- a/modules/mol/pymod/CMakeLists.txt
+++ /dev/null
@@ -1,22 +0,0 @@
-set(OST_BASE_PYMOD_SOURCES
-export_atom.cc
-export_atom_view.cc
-export_bond.cc
-export_chain.cc
-export_chain_view.cc
-export_coord_group.cc
-export_editors.cc
-export_entity.cc
-export_entity_view.cc
-export_property_id.cc
-export_query.cc
-export_residue.cc
-export_residue_view.cc
-export_surface.cc
-export_bounding_box.cc
-export_torsion.cc
-export_visitor.cc
-wrap_mol.cc
-)
-
-ost_pymod(mol ost/mol "${OST_BASE_PYMOD_SOURCES}" "__init__.py")
diff --git a/modules/mol/pymod/__init__.py b/modules/mol/pymod/__init__.py
deleted file mode 100644
index 0665094dc..000000000
--- a/modules/mol/pymod/__init__.py
+++ /dev/null
@@ -1,19 +0,0 @@
-#------------------------------------------------------------------------------
-# This file is part of the OpenStructure project <www.openstructure.org>
-#
-# Copyright (C) 2008-2010 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
-#------------------------------------------------------------------------------
-from _mol import *
\ No newline at end of file
diff --git a/modules/mol/pymod/export_atom.cc b/modules/mol/pymod/export_atom.cc
deleted file mode 100644
index 6bd26d365..000000000
--- a/modules/mol/pymod/export_atom.cc
+++ /dev/null
@@ -1,85 +0,0 @@
-//------------------------------------------------------------------------------
-// This file is part of the OpenStructure project <www.openstructure.org>
-//
-// Copyright (C) 2008-2010 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>
-
-using namespace boost::python;
-
-#include <ost/mol/mol.hh>
-
-using namespace ost;
-using namespace ost::mol;
-
-void export_Atom()
-{
- class_<AtomBase, bases<GenericPropertyContainer> >("AtomBase", no_init)
- .def("GetPos", &AtomBase::GetPos,
- return_value_policy<copy_const_reference>())
- .def("GetName", &AtomBase::GetName,
- return_value_policy<copy_const_reference>())
- .def("GetQualifiedName", &AtomBase::GetQualifiedName)
- .add_property("qualified_name", &AtomBase::GetQualifiedName)
- .def("IsValid", &AtomBase::IsValid)
- .def(self_ns::str(self))
- .add_property("hash_code", &AtomBase::GetHashCode)
- .def("GetHashCode", &AtomBase::GetHashCode)
- .def("GetProp", &AtomBase::GetProp,
- return_value_policy<copy_const_reference>())
- .def("SetProp", &AtomBase::SetProp, args("prop"))
- .add_property("prop",
- make_function(&AtomBase::GetProp,
- return_value_policy<copy_const_reference>()))
- .add_property("pos",
- make_function(&AtomBase::GetPos,
- return_value_policy<copy_const_reference>()))
- .add_property("name",
- make_function(&AtomBase::GetName,
- return_value_policy<copy_const_reference>()),
- &AtomBase::SetName)
-
- ;
-
- class_<AtomHandle, bases<AtomBase> >("AtomHandle", init<>())
- .def("GetResidue",&AtomHandle::GetResidue)
- .add_property("residue",&AtomHandle::GetResidue)
- .def("Apply", &AtomHandle::Apply, args("visitor"))
- .def("GetBondList", &AtomHandle::GetBondList)
- .def("GetBondCount", &AtomHandle::GetBondCount)
- .def("GetEntity", &AtomHandle::GetEntity)
- .add_property("entity", &AtomHandle::GetEntity)
- .def("GetBondPartners", &AtomHandle::GetBondPartners)
- .def("FindBondToAtom", &AtomHandle::FindBondToAtom, args("other_atom"))
- .def(self==self)
- .def(self!=self)
- .def("__hash__", &AtomHandle::GetHashCode)
- ;
-
- class_<AtomHandleList>("AtomHandleList", no_init)
- .def(vector_indexing_suite<AtomHandleList>())
- ;
- class_<AtomProp>("AtomProp", init<>())
- .def_readwrite("element", &AtomProp::element)
- .def_readwrite("radius", &AtomProp::radius)
- .def_readwrite("charge", &AtomProp::charge)
- .def_readwrite("occupancy", &AtomProp::occupancy)
- .def_readwrite("b_factor", &AtomProp::b_factor)
- .def_readwrite("is_hetatm", &AtomProp::is_hetatm)
- ;
-}
-
diff --git a/modules/mol/pymod/export_atom_view.cc b/modules/mol/pymod/export_atom_view.cc
deleted file mode 100644
index f4e94ad5f..000000000
--- a/modules/mol/pymod/export_atom_view.cc
+++ /dev/null
@@ -1,51 +0,0 @@
-//------------------------------------------------------------------------------
-// This file is part of the OpenStructure project <www.openstructure.org>
-//
-// Copyright (C) 2008-2010 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>
-
-using namespace boost::python;
-
-#include <ost/mol/mol.hh>
-
-using namespace ost;
-using namespace ost::mol;
-
-void export_AtomView()
-{
- void (AtomView::* apply1)(EntityVisitor&) = &AtomView::Apply;
- void (AtomView::* apply2)(EntityViewVisitor&) = &AtomView::Apply;
-
- class_<AtomView, bases<AtomBase> >("AtomView", init<>())
- .def("GetResidue",&AtomView::GetResidue)
- .add_property("residue",&AtomView::GetResidue)
- .def("Apply", apply1, args("visitor"))
- .def("Apply", apply2, args("visitor"))
- .def(self==self)
- .def(self!=self)
- .add_property("handle", &AtomView::GetHandle)
- .def("RemoveBonds", &AtomView::RemoveBonds)
- .def("GetHandle", &AtomView::GetHandle)
- .def("GetBondCount", &AtomView::GetBondCount)
- .def("GetBondList", &AtomView::GetBondList)
- ;
- class_<AtomViewList>("AtomViewList", no_init)
- .def(vector_indexing_suite<AtomViewList>())
- ;
-}
-
diff --git a/modules/mol/pymod/export_bond.cc b/modules/mol/pymod/export_bond.cc
deleted file mode 100644
index 1379f73fd..000000000
--- a/modules/mol/pymod/export_bond.cc
+++ /dev/null
@@ -1,59 +0,0 @@
-//------------------------------------------------------------------------------
-// This file is part of the OpenStructure project <www.openstructure.org>
-//
-// Copyright (C) 2008-2010 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>
-
-using namespace boost::python;
-
-
-#include <ost/mol/mol.hh>
-
-using namespace ost;
-using namespace ost::mol;
-
-void export_Bond()
-{
- void (BondHandle::* apply1)(EntityVisitor&) = &BondHandle::Apply;
- void (BondHandle::* apply2)(EntityViewVisitor&) = &BondHandle::Apply;
-
- class_<BondHandle>("BondHandle", init<>())
- .def("GetPos", &BondHandle::GetPos)
- .add_property("pos", &BondHandle::GetPos)
- .add_property("first",
- make_function(&BondHandle::GetFirst))
- .add_property("second",
- make_function(&BondHandle::GetSecond))
- .add_property("length",
- &BondHandle::GetLength)
- .def("GetFirst", &BondHandle::GetFirst)
- .def("GetSecond",&BondHandle::GetSecond)
- .def("GetLength",&BondHandle::GetLength)
- .def("IsValid", &BondHandle::IsValid)
- .def("Apply",apply1)
- .def("Apply",apply2)
- .def(self == self)
- .def(self != self)
- .def(self_ns::str(self))
- ;
- class_<BondHandleList>("BondHandleList", no_init)
- .def(vector_indexing_suite<BondHandleList>())
- ;
- def("BondExists", &BondExists);
-}
-
diff --git a/modules/mol/pymod/export_bounding_box.cc b/modules/mol/pymod/export_bounding_box.cc
deleted file mode 100644
index a0daef8a9..000000000
--- a/modules/mol/pymod/export_bounding_box.cc
+++ /dev/null
@@ -1,73 +0,0 @@
-//------------------------------------------------------------------------------
-// This file is part of the OpenStructure project <www.openstructure.org>
-//
-// Copyright (C) 2008-2010 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>
-using namespace boost::python;
-
-#include <ost/mol/entity_view.hh>
-#include <ost/mol/query.hh>
-#include <ost/mol/mol.hh>
-#include <ost/mol/bounding_box.hh>
-using namespace ost;
-using namespace ost::mol;
-
-namespace {
-
-BoundingBox create_bbox_a(const EntityView& ent)
-{
- return BoundingBoxFromEntity(ent);
-}
-
-BoundingBox create_bbox_b(const EntityHandle& ent)
-{
- return BoundingBoxFromEntity(ent);
-}
-
-}
-
-void export_BoundingBox()
-{
- class_<BoxAxis>("BoxAxis", init<>())
- .def(init<const geom::Vec3&, double>())
- .def("GetHalfExtent", &BoxAxis::GetHalfExtent)
- .def("GetVector", &BoxAxis::GetVector,
- return_value_policy<copy_const_reference>())
- .def("GetExtent", &BoxAxis::GetExtent)
- ;
- class_<BoundingBox>("BoundingBox", init<>())
- .def(init<const geom::Vec3&, const BoxAxis&,const BoxAxis&,
- const BoxAxis&>())
- .def("GetCenter",&BoundingBox::GetCenter)
- .def("GetVecA", &BoundingBox::GetVecA,
- return_value_policy<copy_const_reference>())
- .def("GetVecB", &BoundingBox::GetVecB,
- return_value_policy<copy_const_reference>())
- .def("GetVecC", &BoundingBox::GetVecC,
- return_value_policy<copy_const_reference>())
- .def("GetAxisA", &BoundingBox::GetAxisA,
- return_value_policy<copy_const_reference>())
- .def("GetAxisB", &BoundingBox::GetAxisB,
- return_value_policy<copy_const_reference>())
- .def("GetAxisC", &BoundingBox::GetAxisC,
- return_value_policy<copy_const_reference>())
- .def("GetHalfExtents", &BoundingBox::GetHalfExtents)
- ;
- def("BoundingBoxFromEntity", &create_bbox_a);
- def("BoundingBoxFromEntity", &create_bbox_b);
-}
diff --git a/modules/mol/pymod/export_chain.cc b/modules/mol/pymod/export_chain.cc
deleted file mode 100644
index 762539b74..000000000
--- a/modules/mol/pymod/export_chain.cc
+++ /dev/null
@@ -1,81 +0,0 @@
-//------------------------------------------------------------------------------
-// This file is part of the OpenStructure project <www.openstructure.org>
-//
-// Copyright (C) 2008-2010 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>
-using namespace boost::python;
-
-#include <ost/mol/mol.hh>
-using namespace ost;
-using namespace ost::mol;
-
-namespace {
- typedef void (ChainHandle::*RnumMethod)(const ResNum&);
- typedef void (ChainHandle::*RhandleMethod)(const ResidueHandle&);
-
- //RnumMethod delete_by_number=&ChainHandle::DeleteResidue;
- //RhandleMethod delete_by_handle=&ChainHandle::DeleteResidue;
-
- typedef ResidueHandle (ChainHandle::*SingleArgMethod)(const ResidueKey&);
- typedef ResidueHandle (ChainHandle::*DoubleArgMethod)(const ResidueKey&, const ResNum&);
-
- //SingleArgMethod append_one_arg=&ChainHandle::AppendResidue;
- //DoubleArgMethod append_two_arg=&ChainHandle::AppendResidue;
-}
-
-void export_Chain()
-{
- class_<ChainBase, bases<GenericPropertyContainer> >("ChainBase", no_init)
- .def("GetName", &ChainBase::GetName)
- .add_property("name", &ChainBase::GetName)
- .def("IsValid", &ChainBase::IsValid)
- .def(self_ns::str(self))
- ;
- class_<ChainHandle, bases<ChainBase> >("ChainHandle", init<>())
- .def("GetResidueList", &ChainHandle::GetResidueList)
- .add_property("residues", &ChainHandle::GetResidueList)
- .add_property("entity", &ChainHandle::GetEntity)
- .def("GetEntity", &ChainHandle::GetEntity)
- .def("GetResidueByIndex", &ChainHandle::GetResidueByIndex)
- .def("FindResidue", &ChainHandle::FindResidue, arg("residue_number"))
- .def("FindAtom", &ChainHandle::FindAtom, args("residue_number", "atom_name"))
- //.def("AppendResidue", append_one_arg, args("residue_key"))
- //.def("AppendResidue", append_two_arg, args("residue_key",
- // "residue_number"))
- .def("Apply", &ChainHandle::Apply, args("visitor"))
- .def("GetNext", &ChainHandle::GetNext)
- .def("GetPrev", &ChainHandle::GetPrev)
- //.def("InsertResidueBefore", &ChainHandle::InsertResidueBefore,
- // args("residue_number", "key"))
- .def("GetPrev", &ChainHandle::GetPrev)
- //.def("DeleteResidue", delete_by_number, args("residue_number"))
- //.def("DeleteResidue", delete_by_handle, args("residue_handle"))
- .def("GetResidueCount", &ChainHandle::GetResidueCount)
- .def("GetAtomCount", &ChainHandle::GetAtomCount)
- .def("GetBondCount", &ChainHandle::GetBondCount)
- .add_property("residue_count", &ChainHandle::GetResidueCount)
- .add_property("atom_count", &ChainHandle::GetAtomCount)
- .def("InSequence", &ChainHandle::InSequence)
- .def("GetGeometricCenter", &ChainHandle::GetGeometricCenter)
- .add_property("geometric_center", &ChainHandle::GetGeometricCenter)
- ;
-
- class_<ChainHandleList>("ChainHandleList", no_init)
- .def(vector_indexing_suite<ChainHandleList>())
- ;
-}
diff --git a/modules/mol/pymod/export_chain_view.cc b/modules/mol/pymod/export_chain_view.cc
deleted file mode 100644
index 446edf6ce..000000000
--- a/modules/mol/pymod/export_chain_view.cc
+++ /dev/null
@@ -1,95 +0,0 @@
-//------------------------------------------------------------------------------
-// This file is part of the OpenStructure project <www.openstructure.org>
-//
-// Copyright (C) 2008-2010 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>
-using namespace boost::python;
-#include <ost/mol/mol.hh>
-#include <ost/mol/chain_view.hh>
-#include <ost/mol/query.hh>
-#include <ost/mol/chain_handle.hh>
-#include <ost/mol/entity_visitor.hh>
-
-using namespace ost;
-using namespace ost::mol;
-
-namespace {
-typedef ResidueView (ChainView::*RnumMethod)(const ResNum&) const;
-typedef ResidueView (ChainView::*HandleMethod)(const ResidueHandle&) const;
-
-RnumMethod rnum_find_residue=&ChainView::FindResidue;
-HandleMethod handle_find_residue=&ChainView::FindResidue;
-
-typedef ResidueView (ChainView::*HM)(const ResidueHandle&, ViewAddFlags);
-typedef ResidueView (ChainView::*VM)(const ResidueView&, ViewAddFlags);
-VM vm=&ChainView::AddResidue;
-HM hm=&ChainView::AddResidue;
-BOOST_PYTHON_MEMBER_FUNCTION_OVERLOADS(X_add_residue_overloads,
- ChainView::AddResidue, 1, 2)
-
-
-BOOST_PYTHON_MEMBER_FUNCTION_OVERLOADS(X_add_atom_overloads,
- ChainView::AddAtom, 1, 2)
-
-AtomView (ChainView::*find_atom_a)(const ResNum&, const String&) const=&ChainView::FindAtom;
-AtomView (ChainView::*find_atom_b)(const AtomHandle&) const=&ChainView::FindAtom;
-}
-
-void export_ChainView()
-{
- class_<ChainViewList>("ChainViewList", no_init)
- .def(vector_indexing_suite<ChainViewList>())
- ;
-
- void (ChainView::* apply1)(EntityVisitor&) = &ChainView::Apply;
- void (ChainView::* apply2)(EntityViewVisitor&) = &ChainView::Apply;
-
- class_<ChainView, bases<ChainBase> >("ChainView", init<>())
- .def("GetResidueList", &ChainView::GetResidueList,
- return_value_policy<copy_const_reference>())
- .add_property("residues",
- make_function(&ChainView::GetResidueList,
- return_value_policy<copy_const_reference>()))
- .def("GetEntity", &ChainView::GetEntity)
- .def("FindResidue",rnum_find_residue, arg("residue_number"))
- .def("FindResidue", handle_find_residue, arg("residue_handle"))
- .def("FindAtom", find_atom_a)
- .def("FindAtom", find_atom_b)
- .def("AddAtom", &ChainView::AddAtom,
- X_add_atom_overloads(args("atom_handle", "view_add_flags")))
- .def("AddResidue", hm,
- X_add_residue_overloads(args("residue_handle", "view_add_flags")))
- .def("AddResidue", vm,
- X_add_residue_overloads(args("residue_view", "view_add_flags")))
- .def("Apply", apply1, args("visitor"))
- .def("Apply", apply2, args("visitor"))
- .def("RemoveResidue", &ChainView::RemoveResidue)
- .def("RemoveResidues", &ChainView::RemoveResidues)
- .def("InSequence", &ChainView::InSequence)
- .def("GetResidueByIndex", &ChainView::GetResidueByIndex)
- .def("GetAtomCount", &ChainView::GetAtomCount)
- .def("GetResidueCount", &ChainView::GetResidueCount)
- .def("GetHandle", &ChainView::GetHandle)
- .add_property("handle", &ChainView::GetHandle)
- .add_property("residue_count", &ChainView::GetResidueCount)
- .def("GetGeometricCenter", &ChainView::GetGeometricCenter)
- .add_property("geometric_center", &ChainView::GetGeometricCenter)
- ;
-
-
-}
diff --git a/modules/mol/pymod/export_coord_group.cc b/modules/mol/pymod/export_coord_group.cc
deleted file mode 100644
index d7b1f2635..000000000
--- a/modules/mol/pymod/export_coord_group.cc
+++ /dev/null
@@ -1,41 +0,0 @@
-//------------------------------------------------------------------------------
-// This file is part of the OpenStructure project <www.openstructure.org>
-//
-// Copyright (C) 2008-2010 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>
-using namespace boost::python;
-
-#include <ost/mol/coord_group.hh>
-#include <ost/mol/entity_handle.hh>
-
-using namespace ost;
-using namespace ost::mol;
-
-void export_CoordGroup()
-{
- class_<CoordGroupHandle>("CoordGroupHandle",no_init)
- .def("IsValid",&CoordGroupHandle::IsValid)
- .def("GetEntity",&CoordGroupHandle::GetEntity)
- .def("GetAtomCount",&CoordGroupHandle::GetAtomCount)
- .def("GetFrameCount",&CoordGroupHandle::GetFrameCount)
- .def("SetFramePositions",&CoordGroupHandle::SetFramePositions)
- .def("CopyFrame",&CoordGroupHandle::CopyFrame)
- ;
-
- def("CreateCoordGroup",CreateCoordGroup);
-}
diff --git a/modules/mol/pymod/export_editors.cc b/modules/mol/pymod/export_editors.cc
deleted file mode 100644
index 7792b5184..000000000
--- a/modules/mol/pymod/export_editors.cc
+++ /dev/null
@@ -1,91 +0,0 @@
-//------------------------------------------------------------------------------
-// This file is part of the OpenStructure project <www.openstructure.org>
-//
-// Copyright (C) 2008-2010 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>
-
-using namespace boost::python;
-
-#include <ost/mol/mol.hh>
-
-using namespace ost;
-using namespace ost::mol;
-
-namespace {
-
-BondHandle (EditorBase::*connect_a)(const AtomHandle&,
- const AtomHandle&)=&EditorBase::Connect;
-BondHandle (EditorBase::*connect_b)(const AtomHandle&, const AtomHandle&,
- double, double, double)=&EditorBase::Connect;
-
-ResidueHandle (EditorBase::*append_a)(ChainHandle ch,
- const ResidueKey&)=&EditorBase::AppendResidue;
-ResidueHandle (EditorBase::*append_b)(ChainHandle ch, const ResidueKey&,
- const ResNum&)=&EditorBase::AppendResidue;
-
-void (ICSEditor::*set_torsion_a)(TorsionHandle, double)=&ICSEditor::SetTorsionAngle;
-void (ICSEditor::*set_torsion_b)(const AtomHandle&, const AtomHandle&,
- const AtomHandle&, const AtomHandle&,
- double)=&ICSEditor::SetTorsionAngle;
-
-BOOST_PYTHON_MEMBER_FUNCTION_OVERLOADS(X_insert_atom_overloads,
- EditorBase::InsertAtom, 3, 4)
-}
-
-void export_Editors()
-{
- enum_<EditMode>("EditMode")
- .value("BUFFERED_EDIT", BUFFERED_EDIT)
- .value("UNBUFFERED_EDIT", UNBUFFERED_EDIT)
- .export_values()
- ;
-
- class_<EditorBase>("EditorBase", no_init)
- .def("InsertChain", &EditorBase::InsertChain)
- .def("InsertAtom", &EditorBase::InsertAtom,
- X_insert_atom_overloads())
- .def("InsertAltAtom", &EditorBase::InsertAltAtom)
- .def("DeleteResidue", &EditorBase::DeleteResidue)
- .def("DeleteChain", &EditorBase::DeleteChain)
- .def("DeleteAtom", &EditorBase::DeleteAtom)
- .def("InsertResidueBefore", &EditorBase::InsertResidueBefore)
- .def("InsertResidueAfter", &EditorBase::InsertResidueAfter)
- .def("AppendResidue", append_a)
- .def("AppendResidue", append_b)
- .def("Connect", connect_a)
- .def("Connect", connect_b)
- .def("RenameChain", &EditorBase::RenameChain)
- .def("AddTorsion", &EditorBase::AddTorsion)
- ;
-
- class_<XCSEditor, bases<EditorBase> >("XCSEditor", no_init)
- .def("SetAtomPos", &XCSEditor::SetAtomPos)
- .def("ApplyTransform", &XCSEditor::ApplyTransform)
- .def("UpdateICS", &XCSEditor::UpdateICS)
- .def("__exit__", &XCSEditor::UpdateICS)
- ;
-
- class_<ICSEditor, bases<EditorBase> >("ICSEditor", no_init)
- .def("SetAngle", &ICSEditor::SetAngle)
- .def("SetBondLength", &ICSEditor::SetBondLength)
- .def("SetTorsionAngle", set_torsion_a)
- .def("SetTorsionAngle", set_torsion_b)
- .def("UpdateXCS", &ICSEditor::UpdateXCS)
- .def("__exit__", &ICSEditor::UpdateXCS)
- ;
-}
diff --git a/modules/mol/pymod/export_entity.cc b/modules/mol/pymod/export_entity.cc
deleted file mode 100644
index 783c00782..000000000
--- a/modules/mol/pymod/export_entity.cc
+++ /dev/null
@@ -1,103 +0,0 @@
-//------------------------------------------------------------------------------
-// This file is part of the OpenStructure project <www.openstructure.org>
-//
-// Copyright (C) 2008-2010 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>
-using namespace boost::python;
-
-#include <ost/mol/entity_view.hh>
-#include <ost/mol/query.hh>
-#include <ost/mol/mol.hh>
-using namespace ost;
-using namespace ost::mol;
-
-namespace {
-EntityHandle create1() { return CreateEntity(); }
-
-typedef EntityView (EntityHandle::*StringMethod)(const String&, uint) const;
-typedef BondHandle (EntityHandle::*Connect1)(const AtomHandle&,
- const AtomHandle&);
-typedef BondHandle (EntityHandle::*Connect2)(const AtomHandle&,
- const AtomHandle&, double,
- double, double);
-
-typedef EntityView (EntityHandle::*QueryMethod)(const Query&, uint) const;
-QueryMethod select_query=&EntityHandle::Select;
-StringMethod select_string=&EntityHandle::Select;
-//Connect1 conn1=&EntityHandle::Connect;
-//Connect2 conn2=&EntityHandle::Connect;
-
-BOOST_PYTHON_MEMBER_FUNCTION_OVERLOADS(X_xcs_editor_overloads,
- EntityHandle::RequestXCSEditor, 0, 1)
-BOOST_PYTHON_MEMBER_FUNCTION_OVERLOADS(X_ics_editor_overloads,
- EntityHandle::RequestICSEditor, 0, 1)
-
-}
-
-void export_Entity()
-{
- class_<EntityBase, bases<GenericPropertyContainer> >("EntityBase", no_init)
- .def("IsValid", &EntityBase::IsValid)
- .def(self_ns::str(self))
- ;
-
- class_<EntityHandle, bases<EntityBase> >("EntityHandle", init<>())
- .def("Select",select_query, arg("flags")=0)
- .def("Select",select_string, arg("flags")=0)
- .def("FindChain", &EntityHandle::FindChain)
- .def("FindResidue", &EntityHandle::FindResidue)
- .def("FindAtom", &EntityHandle::FindAtom)
- .def("GetChainList", &EntityHandle::GetChainList)
- .def("CreateFullView",&EntityHandle::CreateFullView)
- .def("CreateEmptyView",&EntityHandle::CreateEmptyView)
- .def("GetGeometricCenter", &EntityHandle::GetGeometricCenter)
- .add_property("geometric_center", &EntityHandle::GetGeometricCenter)
- .def("GetGeometricStart", &EntityHandle::GetGeometricStart)
- .def("GetGeometricEnd", &EntityHandle::GetGeometricEnd)
- .def("GetBoundarySize", &EntityHandle::GetBoundarySize)
- .def("GetResidueCount", &EntityHandle::GetResidueCount)
- .def("GetAtomCount", &EntityHandle::GetAtomCount)
- .def("GetBondCount", &EntityHandle::GetBondCount)
- .def("GetChainCount", &EntityHandle::GetChainCount)
- .add_property("chain_count", &EntityHandle::GetChainCount)
- .add_property("residue_count", &EntityHandle::GetResidueCount)
- .add_property("atom_count", &EntityHandle::GetAtomCount)
- .def("FindWithin", &EntityHandle::FindWithin)
- .def("GetAngle", &EntityHandle::GetAngle)
- .def("FindTorsion", &EntityHandle::FindTorsion)
- .def("Apply", &EntityHandle::Apply)
- .def("Copy", &EntityHandle::Copy)
- .def("GetAtomList", &EntityHandle::GetAtomList)
- .def("GetResidueList", &EntityHandle::GetResidueList)
- .add_property("residues", &EntityHandle::GetResidueList)
- .add_property("atoms", &EntityHandle::GetAtomList)
- .add_property("chains", &EntityHandle::GetChainList)
- .def("RequestICSEditor", &EntityHandle::RequestICSEditor,
- X_ics_editor_overloads(args("mode")))
- .def("RequestXCSEditor", &EntityHandle::RequestXCSEditor,
- X_xcs_editor_overloads(args("mode")))
- .def(self==self)
- .def(self!=self)
- ;
-
- def("CreateEntity",create1);
-
- class_<EntityHandleList>("EntityHandleList", init<>())
- .def(vector_indexing_suite<EntityHandleList>())
- ;
-}
diff --git a/modules/mol/pymod/export_entity_view.cc b/modules/mol/pymod/export_entity_view.cc
deleted file mode 100644
index 6cac2643f..000000000
--- a/modules/mol/pymod/export_entity_view.cc
+++ /dev/null
@@ -1,158 +0,0 @@
-//------------------------------------------------------------------------------
-// This file is part of the OpenStructure project <www.openstructure.org>
-//
-// Copyright (C) 2008-2010 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>
-using namespace boost::python;
-
-#include <ost/mol/entity_view.hh>
-#include <ost/mol/query.hh>
-#include <ost/mol/mol.hh>
-#include <ost/mol/view_op.hh>
-using namespace ost;
-using namespace ost::mol;
-
-namespace {
-
-typedef ChainView (EntityView::*StringMethod)(const String&) const;
-typedef ChainView (EntityView::*StringMethod)(const String&) const;
-typedef EntityView (EntityView::*QueryMethod)(const Query&, uint) const;
-typedef EntityView (EntityView::*QSMethod)(const String&, uint) const;
-typedef ChainView (EntityView::*HandleMethod)(const ChainHandle&) const;
-typedef ChainView (EntityView::*HM)(const ChainHandle&, ViewAddFlags);
-typedef ChainView (EntityView::*VM)(const ChainView&, ViewAddFlags);
-VM vm=&EntityView::AddChain;
-HM hm=&EntityView::AddChain;
-
-HandleMethod find_chain_hnd=&EntityView::FindChain;
-StringMethod find_chain_str=&EntityView::FindChain;
-QSMethod select_string=&EntityView::Select;
-QueryMethod select_query=&EntityView::Select;
-
-EntityView (*create_view_1)(const AtomHandleList&)=&CreateViewFromAtomList;
-EntityView (*create_view_2)(const AtomViewList&)=&CreateViewFromAtomList;
-ResidueView (EntityView::*add_res_a)(const ResidueHandle&,
- ViewAddFlags)=&EntityView::AddResidue;
-ResidueView (EntityView::*add_res_b)(const ResidueView&,
- ViewAddFlags)=&EntityView::AddResidue;
-AtomView (EntityView::*add_atom_a)(const AtomHandle&,
- ViewAddFlags)=&EntityView::AddAtom;
-AtomView (EntityView::*add_atom_b)(const AtomView&,
- ViewAddFlags)=&EntityView::AddAtom;
-BOOST_PYTHON_MEMBER_FUNCTION_OVERLOADS(X_add_residue_overloads,
- EntityView::AddResidue, 1, 2)
-
-
-BOOST_PYTHON_MEMBER_FUNCTION_OVERLOADS(X_add_chain_overloads,
- EntityView::AddChain, 1, 2)
-
-BOOST_PYTHON_MEMBER_FUNCTION_OVERLOADS(X_add_atom_overloads,
- EntityView::AddAtom, 1, 2)
-
-AtomView (EntityView::*find_atom_a)(const String&, const ResNum&, const String&) const=&EntityView::FindAtom;
-AtomView (EntityView::*find_atom_b)(const AtomHandle&) const=&EntityView::FindAtom;
-}
-
-
-void export_EntityView()
-{
- enum_<ViewAddFlag::Type>("ViewAddFlag")
- .value("INCLUDE_ATOMS",ViewAddFlag::INCLUDE_ATOMS)
- .value("INCLUDE_RESIDUES",ViewAddFlag::INCLUDE_RESIDUES)
- .value("INCLUDE_CHAINS",ViewAddFlag::INCLUDE_CHAINS)
- .value("INCLUDE_ALL",ViewAddFlag::INCLUDE_ALL)
- .value("CHECK_DUPLICATES",ViewAddFlag::CHECK_DUPLICATES)
- .export_values()
- ;
-
- void (EntityView::* apply1)(EntityVisitor&) = &EntityView::Apply;
- void (EntityView::* apply2)(EntityViewVisitor&) = &EntityView::Apply;
-
- class_<EntityView, bases<EntityBase> >("EntityView", no_init)
- .def("Apply",apply1)
- .def("Apply",apply2)
- .def("Copy", &EntityView::Copy)
- .def("FindChain", find_chain_str)
- .def("FindResidue", &EntityView::FindResidue)
- .def("FindAtom", find_atom_a)
- .def("FindAtom", find_atom_b)
- .def("GetAtomCount", &EntityView::GetAtomCount)
- .def("GetGeometricStart", &EntityView::GetGeometricStart)
- .def("GetGeometricEnd", &EntityView::GetGeometricEnd)
- .def("GetGeometricCenter", &EntityView::GetGeometricCenter)
- .add_property("geometric_center", &EntityView::GetGeometricCenter)
- .def("GetResidueCount", &EntityView::GetResidueCount)
- .def("GetChainCount", &EntityView::GetChainCount)
- .def("GetBondCount", &EntityView::GetBondCount)
- .def("FindChain", find_chain_hnd)
- .def("RemoveChain", &EntityView::RemoveChain)
- .def("FindWithin", &EntityView::FindWithin)
- .def("RemoveResidue", &EntityView::RemoveResidue)
- .def("RemoveAtom", &EntityView::RemoveAtom)
- .def("AddAllInclusiveBonds", &EntityView::AddAllInclusiveBonds)
- .add_property("chain_count", &EntityView::GetChainCount)
- .add_property("residue_count", &EntityView::GetResidueCount)
- .add_property("atom_count", &EntityView::GetAtomCount)
- .add_property("bond_count", &EntityView::GetBondCount)
- .def("GetResidueList", &EntityView::GetResidueList)
- .def("GetAtomList", &EntityView::GetAtomList)
- .add_property("atoms", &EntityView::GetAtomList)
- .add_property("residues", &EntityView::GetResidueList)
- .def("AddAtom", add_atom_a,
- X_add_atom_overloads(args("atom_handle", "view_add_flags")))
- .def("AddAtom", add_atom_b,
- X_add_atom_overloads(args("atom_view", "view_add_flags")))
- .def("AddResidue", add_res_a,
- X_add_residue_overloads(args("residue_handle", "view_add_flags")))
- .def("AddResidue", add_res_b,
- X_add_residue_overloads(args("residue_view", "view_add_flags")))
- .def("AddChain", hm,
- X_add_chain_overloads(args("chain_handle", "view_add_flags")))
- .def("AddChain", vm,
- X_add_chain_overloads(args("chain_view", "view_add_flags")))
- .def("Select", select_string, arg("flags")=0)
- .def("Select", select_query, arg("flags")=0)
- .def("GetBondList", &EntityView::GetBondList,
- return_value_policy<reference_existing_object>())
- .def("AddAllInclusiveBonds",&EntityView::AddAllInclusiveBonds)
- .add_property("handle", &EntityView::GetHandle)
- .def("GetHandle", &EntityView::GetHandle)
- .add_property("bonds",
- make_function(&EntityView::GetBondList,
- return_value_policy<reference_existing_object>()))
- .def("GetChainList", &EntityView::GetChainList,
- return_value_policy<reference_existing_object>())
- .add_property("chains",
- make_function(&EntityView::GetChainList,
- return_value_policy<reference_existing_object>()))
- .def(self==self)
- .def(self!=self)
- ;
- def("Union", &Union);
- def("Difference", &Difference);
- def("Intersection", &Intersection);
-
- def("CreateEntityFromView", &CreateEntityFromView);
-
- def("CreateViewFromAtoms", create_view_1);
- def("CreateViewFromAtoms", create_view_2);
-
- class_<EntityViewList>("EntityViewList", init<>())
- .def(vector_indexing_suite<EntityViewList>())
- ;
-}
diff --git a/modules/mol/pymod/export_property_id.cc b/modules/mol/pymod/export_property_id.cc
deleted file mode 100644
index 420f19580..000000000
--- a/modules/mol/pymod/export_property_id.cc
+++ /dev/null
@@ -1,71 +0,0 @@
-//------------------------------------------------------------------------------
-// This file is part of the OpenStructure project <www.openstructure.org>
-//
-// Copyright (C) 2008-2010 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>
-
-using namespace boost::python;
-
-#include <ost/mol/mol.hh>
-
-using namespace ost;
-using namespace ost::mol;
-
-void export_PropertyID()
-{
- {
- scope prop_scope=class_<Prop>("Prop", no_init)
- .def("GetName", &Prop::GetName)
- .def("GetTypeName", &Prop::GetTypeName)
- .def_readwrite("id", &Prop::id)
- .def_readwrite("level", &Prop::level)
- .def_readwrite("type", &Prop::type)
- .add_property("name", &Prop::GetName)
- .add_property("type_name", &Prop::GetTypeName)
- ;
- enum_<Prop::ID>("ID")
- .value("UNDEF", Prop::UNDEF)
- .value("RNAME", Prop::RNAME)
- .value("ANAME", Prop::ANAME)
- .value("CNAME", Prop::CNAME)
- .value("ELE", Prop::ELE)
- .value("RNUM", Prop::RNUM)
- .value("ANUM", Prop::ANUM)
- .value("AX", Prop::AX)
- .value("AY", Prop::AY)
- .value("AZ", Prop::AZ)
- .value("OCC", Prop::OCC)
- .value("CUSTOM", Prop::CUSTOM)
- .value("RTYPE", Prop::RTYPE)
- .value("ISHETATM", Prop::ISHETATM)
- .value("RBFAC", Prop::RBFAC)
- .value("ABFAC", Prop::ABFAC)
- .value("PEPTIDE", Prop::PEPTIDE)
- .value("ACHARGE", Prop::ACHARGE)
- ;
- enum_<Prop::Level>("Level")
- .value("ATOM", Prop::ATOM)
- .value("RESIDUE", Prop::RESIDUE)
- .value("CHAIN", Prop::CHAIN)
- .value("UNSPECIFIED", Prop::UNSPECIFIED)
- ;
- }
-
- def("PropertyIDFromString", &PropertyIDFromString);
- def("PropertyFromString", &PropertyFromString);
-}
diff --git a/modules/mol/pymod/export_query.cc b/modules/mol/pymod/export_query.cc
deleted file mode 100644
index 2a301e0b3..000000000
--- a/modules/mol/pymod/export_query.cc
+++ /dev/null
@@ -1,63 +0,0 @@
-//------------------------------------------------------------------------------
-// This file is part of the OpenStructure project <www.openstructure.org>
-//
-// Copyright (C) 2008-2010 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/exception_translator.hpp>
-using namespace boost::python;
-
-#include <ost/mol/query.hh>
-#include <ost/mol/mol.hh>
-using namespace ost;
-using namespace ost::mol;
-
-void translate_QueryError(const QueryError& e) {
- PyErr_SetString(PyExc_RuntimeError, e.GetFormattedMessage().c_str());
-}
-
-void export_Query()
-{
-
- register_exception_translator<QueryError>(translate_QueryError);
-
- class_<QueryErrorDesc>("QueryErrorDesc", no_init)
- .def_readonly("msg", &QueryErrorDesc::msg)
- ;
-
- enum_<QueryFlag::Flag>("QueryFlag")
- .value("NO_BONDS", QueryFlag::NO_BONDS)
- .value("EXCLUSIVE_BONDS", QueryFlag::EXCLUSIVE_BONDS)
- .value("MATCH_RESIDUES", QueryFlag::MATCH_RESIDUES)
- .export_values()
- ;
-
- class_<Query>("Query", init<String>())
- .def("GetQueryString",&Query::GetQueryString,
- return_value_policy<copy_const_reference>())
- .def("IsValid", &Query::IsValid)
- .def("IsAtomSelected", &Query::IsAtomSelected)
- .def("IsResidueSelected", &Query::IsResidueSelected)
- .def("IsChainSelected", &Query::IsChainSelected)
- .add_property("String",
- make_function(&Query::GetQueryString,
- return_value_policy<copy_const_reference>()))
- .def("GetErrorDescription", &Query::GetErrorDescription,
- return_value_policy<copy_const_reference>())
- ;
-
-
-}
diff --git a/modules/mol/pymod/export_residue.cc b/modules/mol/pymod/export_residue.cc
deleted file mode 100644
index ebad87cdc..000000000
--- a/modules/mol/pymod/export_residue.cc
+++ /dev/null
@@ -1,141 +0,0 @@
-//------------------------------------------------------------------------------
-// This file is part of the OpenStructure project <www.openstructure.org>
-//
-// Copyright (C) 2008-2010 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>
-
-using namespace boost::python;
-
-#include <ost/mol/mol.hh>
-
-using namespace ost;
-using namespace ost::mol;
-
-//BOOST_PYTHON_MEMBER_FUNCTION_OVERLOADS(X_insert_overloads,
-// ResidueHandle::InsertAtom, 2, 3)
-void export_Residue()
-{
- class_<ResNum>("ResNum", init<int>(args("num")))
- .def(init<int,char>(args("num", "ins_code")))
- .def("GetNum", &ResNum::GetNum)
- .def("GetInsCode", &ResNum::GetInsCode)
- .add_property("num", &ResNum::GetNum)
- .add_property("ins_code", &ResNum::GetInsCode)
- .def("__str__", &ResNum::AsString)
- .def("__repr__", &ResNum::AsString)
- .def(self<self)
- .def(self>self)
- .def(self>=self)
- .def(self<=self)
- .def(self==self)
- .def(self!=self)
- .def(self+=int())
- .def(self-=int())
- .def(self+int())
- .def(self-int())
- ;
- {
- scope sec_struct_scope=class_<SecStructure>("SecStructure", init<>())
- .def(init<char>())
- .def(init<SecStructure::Type>())
- .def("IsHelical", &SecStructure::IsHelical)
- .def("IsExtended", &SecStructure::IsExtended)
- .def("IsCoil", &SecStructure::IsCoil)
- ;
- enum_<SecStructure::Type>("Type")
- .value("EXTENDED", SecStructure::EXTENDED)
- .value("COIL", SecStructure::COIL)
- .value("THREE_TEN_HELIX", SecStructure::THREE_TEN_HELIX)
- .value("ALPHA_HELIX", SecStructure::ALPHA_HELIX)
- .value("BETA_BRIDGE", SecStructure::BETA_BRIDGE)
- .value("BEND", SecStructure::BEND)
- .value("PI_HELIX", SecStructure::PI_HELIX)
- .value("TURN", SecStructure::TURN)
- .export_values()
- ;
- }
- class_<ResidueBase, bases<GenericPropertyContainer> >("ResidueBase", no_init)
- .def("GetSecStructure", &ResidueBase::GetSecStructure)
- .def("SetSecStructure", &ResidueBase::SetSecStructure)
- .def("GetPhiTorsion", &ResidueBase::GetPhiTorsion)
- .def("GetPsiTorsion", &ResidueBase::GetPsiTorsion)
- .def("IsValid", &ResidueBase::IsValid)
- .def(self_ns::str(self))
- .def("GetOneLetterCode", &ResidueBase::GetOneLetterCode)
- .def("SetOneLetterCode", &ResidueBase::SetOneLetterCode)
- .add_property("one_letter_code", &ResidueBase::GetOneLetterCode,
- &ResidueBase::SetOneLetterCode)
- .def("GetQualifedName", &ResidueBase::GetQualifiedName)
- .def("IsPeptideLinking", &ResidueBase::IsPeptideLinking)
- .def("GetKey", &ResidueBase::GetKey,
- return_value_policy<copy_const_reference>())
- .def("GetName", &ResidueBase::GetName,
- return_value_policy<copy_const_reference>())
- .def("GetNumber", &ResidueBase::GetNumber,
- return_value_policy<copy_const_reference>())
- .add_property("number",
- make_function(&ResidueBase::GetNumber,
- return_value_policy<copy_const_reference>()))
- .add_property("sec_structure", &ResidueBase::GetSecStructure,
- &ResidueBase::SetSecStructure)
- .add_property("key",
- make_function(&ResidueBase::GetKey,
- return_value_policy<copy_const_reference>()))
- .add_property("name",
- make_function(&ResidueBase::GetName,
- return_value_policy<copy_const_reference>()))
- .add_property("qualified_name", &ResidueBase::GetQualifiedName)
- ;
-
-
- class_<ResidueHandle, bases<ResidueBase> >("ResidueHandle", init<>())
- .def("GetChain",&ResidueHandle::GetChain)
- .add_property("chain", &ResidueHandle::GetChain)
- .add_property("entity", &ResidueHandle::GetEntity)
- .def("GetAtomList", &ResidueHandle::GetAtomList)
- .def("GetIndex", &ResidueHandle::GetIndex)
- .def("GetNext", &ResidueHandle::GetNext)
- .def("GetPrev", &ResidueHandle::GetPrev)
- .def("GetTorsionList", &ResidueHandle::GetTorsionList)
- .add_property("prev", &ResidueHandle::GetPrev)
- .add_property("next", &ResidueHandle::GetNext)
- .def("HasAltAtoms", &ResidueHandle::HasAltAtoms)
- .def("HasAltAtomGroup", &ResidueHandle::HasAltAtomGroup)
- .def("GetCurrentAltGroupName", &ResidueHandle::GetCurrentAltGroupName,
- return_value_policy<copy_const_reference>())
- .def("SwitchAtomPos", &ResidueHandle::SwitchAtomPos)
- .add_property("atoms", &ResidueHandle::GetAtomList)
- .def("FindAtom", &ResidueHandle::FindAtom, args("atom_name"))
- .def("FindTorsion", &ResidueHandle::FindTorsion)
- .def("UpdateSidechainFromICS", &ResidueHandle::UpdateSidechainFromICS)
- .def("Apply", &ResidueHandle::Apply, args("visitor"))
- .def("GetAtomCount", &ResidueHandle::GetAtomCount)
- .def("GetBondCount", &ResidueHandle::GetBondCount)
- .add_property("atom_count", &ResidueHandle::GetAtomCount)
- .add_property("index", &ResidueHandle::GetIndex)
- .def("GetGeometricCenter", &ResidueHandle::GetGeometricCenter)
- .add_property("geometric_center", &ResidueHandle::GetGeometricCenter)
- .def(self==self)
- .def(self!=self)
- .def("__hash__", &ResidueHandle::GetHashCode)
- ;
-
- class_<ResidueHandleList>("ResidueHandleList", no_init)
- .def(vector_indexing_suite<ResidueHandleList>())
- ;
-}
diff --git a/modules/mol/pymod/export_residue_view.cc b/modules/mol/pymod/export_residue_view.cc
deleted file mode 100644
index 037998b69..000000000
--- a/modules/mol/pymod/export_residue_view.cc
+++ /dev/null
@@ -1,81 +0,0 @@
-//------------------------------------------------------------------------------
-// This file is part of the OpenStructure project <www.openstructure.org>
-//
-// Copyright (C) 2008-2010 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>
-
-using namespace boost::python;
-
-#include <ost/mol/mol.hh>
-
-using namespace ost;
-using namespace ost::mol;
-
-namespace {
-typedef AtomView (ResidueView::*StringMethod)(const String&) const;
-typedef AtomView (ResidueView::*HandleMethod)(const AtomHandle&) const;
-typedef AtomView (ResidueView::*ViewMethod)(const AtomView&, ViewAddFlags);
-typedef AtomView (ResidueView::*HandleMethodNonConst)(const AtomHandle&, ViewAddFlags);
-
-StringMethod string_find_atom=&ResidueView::FindAtom;
-HandleMethod handle_find_atom=&ResidueView::FindAtom;
-HandleMethodNonConst add_atom_handle=&ResidueView::AddAtom;
-ViewMethod add_atom_view=&ResidueView::AddAtom;
-BOOST_PYTHON_MEMBER_FUNCTION_OVERLOADS(X_add_atom_overloads,
- ResidueView::AddAtom, 1, 2)
-}
-
-void export_ResidueView()
-{
- class_<ResidueViewList>("ResidueViewList", no_init)
- .def(vector_indexing_suite<ResidueViewList>())
- ;
-
- void (ResidueView::* apply1)(EntityVisitor&) = &ResidueView::Apply;
- void (ResidueView::* apply2)(EntityViewVisitor&) = &ResidueView::Apply;
-
- class_<ResidueView, bases<ResidueBase> >("ResidueView", init<>())
- .def("GetChain",&ResidueView::GetChain)
- .def("GetAtomList", &ResidueView::GetAtomList,
- return_value_policy<copy_const_reference>())
- .add_property("atoms",
- make_function(&ResidueView::GetAtomList,
- return_value_policy<copy_const_reference>()))
- .def("FindAtom", string_find_atom, args("atom_name"))
- .def("AddAtom", add_atom_handle, X_add_atom_overloads(args("atom_handle", "flags")))
- .def("AddAtom", add_atom_view, X_add_atom_overloads(args("atom_view", "flags")))
- .def("FindAtom", handle_find_atom, args("atom_handle"))
- .def("IsAtomIncluded", &ResidueView::IsAtomIncluded, args("atom_handle"))
- .def("Apply", apply1, args("visitor"))
- .def("Apply", apply2, args("visitor"))
- .def("GetIndex", &ResidueView::GetIndex)
- .add_property("chain", &ResidueView::GetChain)
- .add_property("entity", &ResidueView::GetEntity)
- .add_property("index", &ResidueView::GetIndex)
- .def("RemoveAtoms", &ResidueView::RemoveAtom)
- .add_property("handle", &ResidueView::GetHandle)
- .def("GetHandle", &ResidueView::GetHandle)
- .def("RemoveAtom", &ResidueView::RemoveAtom)
- .def(self==self)
- .def(self!=self)
- .def("GetGeometricCenter", &ResidueView::GetGeometricCenter)
- .add_property("GeometricCenter", &ResidueView::GetGeometricCenter)
- ;
-
-
-}
diff --git a/modules/mol/pymod/export_surface.cc b/modules/mol/pymod/export_surface.cc
deleted file mode 100644
index d825aaf85..000000000
--- a/modules/mol/pymod/export_surface.cc
+++ /dev/null
@@ -1,80 +0,0 @@
-//------------------------------------------------------------------------------
-// This file is part of the OpenStructure project <www.openstructure.org>
-//
-// Copyright (C) 2008-2010 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>
-using namespace boost::python;
-
-
-#include <ost/mol/surface_handle.hh>
-#include <ost/mol/surface_builder.hh>
-#include <ost/mol/entity_handle.hh>
-#include <ost/mol/impl/rsurf_impl.hh>
-#include <ost/mol/impl/surface_impl.hh>
-
-using namespace ost;
-using namespace ost::mol;
-
-namespace {
-
-SurfaceHandle create1()
-{
- return CreateSurface();
-}
-
-void rsurf_tri_dummy(rsurf::RSurf& rs, float patch_size)
-{
- impl::SurfaceImplP impl(new impl::SurfaceImpl());
- rs.Triangulate(impl,patch_size);
-}
-
-
-} // anon ns
-
-void export_Surface()
-{
- class_<SurfaceVertex>("SurfaceVertex", init<>())
- .def_readwrite("Position", &SurfaceVertex::position)
- .def_readwrite("Normal", &SurfaceVertex::normal)
- .def_readwrite("Atom", &SurfaceVertex::atom)
- ;
- class_<SurfaceTriIDList>("SurfaceTriIDList", init<>())
- .def(vector_indexing_suite<SurfaceTriIDList>())
- ;
- class_<SurfaceVertexList>("SurfaceVertexList", init<>())
- .def(vector_indexing_suite<SurfaceVertexList>())
- ;
- class_<SurfaceHandle>("SurfaceHandle", no_init)
- .def("Attach",&SurfaceHandle::Attach)
- .def("GetVertexIDList", &SurfaceHandle::GetVertexIDList)
- .def("GetTriIDList", &SurfaceHandle::GetTriIDList)
- .def("GetVertex", &SurfaceHandle::GetVertex)
- .def("FindWithin", &SurfaceHandle::FindWithin)
- .def("Invert",&SurfaceHandle::Invert)
- ;
-
- def("CreateSurface",create1);
-
- def("BuildSurface",BuildSurface);
-
- class_<rsurf::RSurf,rsurf::RSurfP>("RSurf", init<double>())
- .def("AddSphere",&rsurf::RSurf::AddSphere)
- .def("Build",&rsurf::RSurf::Build)
- .def("Triangulate",rsurf_tri_dummy)
- ;
-}
diff --git a/modules/mol/pymod/export_torsion.cc b/modules/mol/pymod/export_torsion.cc
deleted file mode 100644
index b2bab442d..000000000
--- a/modules/mol/pymod/export_torsion.cc
+++ /dev/null
@@ -1,68 +0,0 @@
-//------------------------------------------------------------------------------
-// This file is part of the OpenStructure project <www.openstructure.org>
-//
-// Copyright (C) 2008-2010 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>
-#include <ost/mol/torsion_handle.hh>
-
-using namespace boost::python;
-using namespace ost;
-using namespace ost::mol;
-
-BOOST_PYTHON_MEMBER_FUNCTION_OVERLOADS(X_rotate_angle_overloads,
- TorsionHandle::RotateAngle, 1, 2)
-
-BOOST_PYTHON_MEMBER_FUNCTION_OVERLOADS(X_set_angle_overloads,
- TorsionHandle::SetAngle, 1, 2)
-void export_Torsion()
-{
- class_<TorsionHandle>("TorsionHandle", init<>())
- .def("IsValid", &TorsionHandle::IsValid)
- .def("GetName", &TorsionHandle::GetName,
- return_value_policy<copy_const_reference>())
- .def("Name",
- make_function(&TorsionHandle::GetName,
- return_value_policy<copy_const_reference>()))
- .def("GetPos", &TorsionHandle::GetPos)
- .add_property("pos", &TorsionHandle::GetPos)
- .def("GetFirst", &TorsionHandle::GetFirst)
- .def("GetSecond", &TorsionHandle::GetSecond)
- .def("GetThird", &TorsionHandle::GetThird)
- .def("GetFourth", &TorsionHandle::GetFourth)
- .add_property("first", &TorsionHandle::GetFirst)
- .add_property("second", &TorsionHandle::GetSecond)
- .add_property("third", &TorsionHandle::GetThird)
- .add_property("fourth", &TorsionHandle::GetFourth)
- .def("IsValid", &TorsionHandle::IsValid)
- .def("SetAngle", &TorsionHandle::SetAngle)
- .def("GetAngle", &TorsionHandle::GetAngle)
- .def("RotateAngle", &TorsionHandle::RotateAngle,
- X_rotate_angle_overloads(args("angle", "up")))
- .add_property("angle", &TorsionHandle::GetAngle,
- &TorsionHandle::SetAngle)
- .def("SetAngle", &TorsionHandle::SetAngle,
- X_set_angle_overloads(args("angle", "up")))
- .def(self_ns::str(self))
-
- ;
- class_<TorsionHandleList>("TorsionHandleList", no_init)
- .def(vector_indexing_suite<TorsionHandleList>())
- ;
-
- def ("DihedralAngle", &DihedralAngle);
-}
diff --git a/modules/mol/pymod/export_visitor.cc b/modules/mol/pymod/export_visitor.cc
deleted file mode 100644
index 1191dc4eb..000000000
--- a/modules/mol/pymod/export_visitor.cc
+++ /dev/null
@@ -1,75 +0,0 @@
-//------------------------------------------------------------------------------
-// This file is part of the OpenStructure project <www.openstructure.org>
-//
-// Copyright (C) 2008-2010 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>
-using namespace boost::python;
-
-#include <ost/mol/mol.hh>
-using namespace ost;
-using namespace ost::mol;
-
-namespace {
-
-struct WrappedVisitor : EntityVisitor
-{
- WrappedVisitor(PyObject *p)
- : self(p) {}
-
- WrappedVisitor(PyObject *p, const EntityVisitor& e)
- : EntityVisitor(e), self(p) {}
-
- virtual bool VisitAtom(const AtomHandle& atom) {
- return call_method<bool, AtomHandle>(self, "VisitAtom", atom);
- }
- bool VisitAtomDefault(AtomHandle atom) {
- return true;
- }
-
- virtual bool VisitResidue(const ResidueHandle& residue) {
- return call_method<bool, ResidueHandle>(self, "VisitResidue", residue);
- }
-
- bool VisitResidueDefault(ResidueHandle residue) {
- return true;
- }
- virtual bool VisitChain(const ChainHandle& chain) {
- return call_method<bool, ChainHandle>(self, "VisitChain", chain);
- }
- bool VisitChainDefault(ChainHandle chain) {
- return true;
- }
- virtual bool VisitBond(const BondHandle& bond) {
- return call_method<bool, BondHandle>(self, "VisitBond", bond);
- }
- bool VisitBondDefault(BondHandle chain) {
- return true;
- }
- private:
- PyObject* self;
-};
-
-}
-void export_Visitor()
-{
- class_<EntityVisitor, WrappedVisitor>("EntityVisitor", init<>())
- .def("VisitAtom", &WrappedVisitor::VisitAtomDefault)
- .def("VisitResidue", &WrappedVisitor::VisitResidueDefault)
- .def("VisitChain", &WrappedVisitor::VisitChainDefault)
- .def("VisitBond", &WrappedVisitor::VisitBondDefault)
- ;
-}
diff --git a/modules/mol/pymod/wrap_mol.cc b/modules/mol/pymod/wrap_mol.cc
deleted file mode 100644
index 24dc9475e..000000000
--- a/modules/mol/pymod/wrap_mol.cc
+++ /dev/null
@@ -1,59 +0,0 @@
-//------------------------------------------------------------------------------
-// This file is part of the OpenStructure project <www.openstructure.org>
-//
-// Copyright (C) 2008-2010 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 <iostream>
-using namespace boost::python;
-
-void export_Entity();
-void export_EntityView();
-void export_ChainView();
-void export_Surface();
-void export_Query();
-void export_Chain();
-void export_Residue();
-void export_Atom();
-void export_Bond();
-void export_Torsion();
-void export_Visitor();
-void export_AtomView();
-void export_ResidueView();
-void export_Editors();
-void export_CoordGroup();
-void export_PropertyID();
-void export_BoundingBox();
-BOOST_PYTHON_MODULE(_mol)
-{
- export_Entity();
- export_Surface();
- export_Query();
- export_Chain();
- export_Residue();
- export_Atom();
- export_Bond();
- export_Visitor();
- export_Torsion();
- export_AtomView();
- export_ResidueView();
- export_ChainView();
- export_EntityView();
- export_Editors();
- export_CoordGroup();
- export_PropertyID();
- export_BoundingBox();
-}
--
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