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//------------------------------------------------------------------------------
// This file is part of the OpenStructure project <www.openstructure.org>
//
// Copyright (C) 2008-2020 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>
#include <ost/geom/export_helper/vector.hh>
using namespace ost;
using namespace ost::mol;
#include "bounds.hh"
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;
HandleMethod view_for_rh=&ChainView::ViewForHandle;
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;
AtomView (ChainView::*view_for_ah)(const AtomHandle&) const=&ChainView::ViewForHandle;
typedef EntityView (ChainView::*QueryMethod)(const Query&, uint) const;
typedef EntityView (ChainView::*StringMethod)(const String&, uint) const;
QueryMethod select_query=&ChainView::Select;
StringMethod select_string=&ChainView::Select;
}
void export_ChainView()
{
class_<ChainViewList>("ChainViewList", no_init)
.def(vector_indexing_suite<ChainViewList>())
.def(geom::VectorAdditions<ChainViewList>())
;
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("ViewForHandle", view_for_rh, arg("residue_handle"))
.def("FindAtom", find_atom_a)
.def("FindAtom", find_atom_b)
.def("ViewForHandle", view_for_ah)
.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("RemoveResidue", &ChainView::RemoveResidue)
.def("RemoveResidues", &ChainView::RemoveResidues)
.def("InSequence", &ChainView::InSequence)
.def("GetResidueIndex", &ChainView::GetResidueIndex)
.def("GetResidueByIndex", &ChainView::GetResidueByIndex)
.def("GetAtomCount", &ChainView::GetAtomCount)
.def("GetResidueCount", &ChainView::GetResidueCount)
.def("GetHandle", &ChainView::GetHandle)
.def("Select", select_string, arg("flags")=0)
.def("Select", select_query, arg("flags")=0)
.add_property("handle", &ChainView::GetHandle)
.add_property("residue_count", &ChainView::GetResidueCount)
.def("GetMass", &ChainView::GetMass)
.def("GetCenterOfMass", &ChainView::GetCenterOfMass)
.def("GetCenterOfAtoms", &ChainView::GetCenterOfAtoms)
.def("GetGeometricCenter", geom_center<ChainView>)
.add_property("geometric_center", geom_center<ChainView>)
.add_property("mass", &ChainView::GetMass)
.add_property("center_of_mass", &ChainView::GetCenterOfMass)
.add_property("center_of_atoms", &ChainView::GetCenterOfAtoms)
.add_property("valid", &ChainView::IsValid)
.def("IsValid", &ChainView::IsValid)
.add_property("in_sequence", &ChainView::InSequence)
.def("GetGeometricStart", geom_start<ChainView>)
.def("GetGeometricEnd", geom_end<ChainView>)
.def("GetBounds", &ChainView::GetBounds)
.add_property("bounds", &ChainView::GetBounds)
.def(self==self)
.def(self!=self)
.def("__hash__", &ChainView::GetHashCode)
.def("GetHashCode", &ChainView::GetHashCode)
.add_property("hash_code", &ChainView::GetHashCode)
;
}
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