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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>
#include <ost/conop/amino_acids.hh>
using namespace boost::python;
using namespace ost::conop;
void export_AminoAcids()
{
enum_<AminoAcid>("AminoAcid")
.value("ALA", ALA)
.value("ARG", ARG)
.value("ASN", ASN)
.value("ASP", ASP)
.value("GLN", GLN)
.value("GLU", GLU)
.value("LYS", LYS)
.value("SER", SER)
.value("CYS", CYS)
.value("TYR", TYR)
.value("THR", THR)
.value("VAL", VAL)
.value("ILE", ILE)
.value("LEU", LEU)
.value("GLY", GLY)
.value("PRO", PRO)
.value("MET", MET)
.value("HIS", HIS)
.value("PHE", PHE)
.value("TRP", TRP)
.value("XXX", XXX)
.export_values()
;
class_<AminoAcidSet>("AminoAcidSet", init<>())
.def("Add", &AminoAcidSet::Add)
.def("Remove", &AminoAcidSet::Remove)
.def("Contains", &AminoAcidSet::Contains)
.def("Empty", &AminoAcidSet::Empty)
.def("CreatePolarSet",
&AminoAcidSet::CreatePolarSet).staticmethod("CreatePolarSet")
.def("CreateApolarSet",
&AminoAcidSet::CreateApolarSet).staticmethod("CreateApolarSet")
.def("CreateAromaticSet",
&AminoAcidSet::CreateAromaticSet).staticmethod("CreateAromaticSet")
.def("CreateThreeStateSet",
&AminoAcidSet::CreateThreeStateSet).staticmethod("CreateThreeStateSet")
.def("CreatePseudoSet",
&AminoAcidSet::CreatePseudoSet).staticmethod("CreatePseudoSet")
.def("CreateCompleteSet",
&AminoAcidSet::CreateCompleteSet).staticmethod("CreateCompleteSet")
.def("CreateSet", &AminoAcidSet::CreateSet).staticmethod("CreateSet")
.def(self_ns::str(self))
;
class_<AminoAcidAlphabet>("AminoAcidAlphabet", init<>())
.def(vector_indexing_suite<AminoAcidAlphabet>())
;
def("ResidueToAminoAcid",&ResidueToAminoAcid);
def("ResidueNameToAminoAcid",&ResidueNameToAminoAcid);
def("AminoAcidToResidueName",&AminoAcidToResidueName);
def("OneLetterCodeToResidueName",&OneLetterCodeToResidueName);
def("ResidueNameToOneLetterCode",&ResidueNameToOneLetterCode);
def("OneLetterCodeToAminoAcid",&OneLetterCodeToAminoAcid);
}
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