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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>
using namespace boost::python;
#include <ost/conop/rule_based.hh>
using namespace ost::conop;
void export_rule_based() {
class_<RuleBasedProcessor, RuleBasedProcessorPtr,
boost::noncopyable, bases<Processor> >("RuleBasedProcessor",
init<CompoundLibPtr>())
.def(init<CompoundLibPtr,bool,bool,ConopAction,ConopAction,bool,bool,bool,bool,bool,ConopAction>(
(arg("lib"), arg("fix_elements")=true, arg("strict_hydrogens")=false,
arg("unknown_res_treatment")=CONOP_WARN,
arg("unknown_atom_treatment")=CONOP_WARN,
arg("check_bond_feasibility")=false,
arg("assign_torsions")=true,
arg("connect")=true,
arg("peptide_bonds")=true,
arg("connect_hetatm")=true,
arg("zero_occ_treatment")=CONOP_WARN)))
.add_property("fix_element", &RuleBasedProcessor::GetFixElement,
&RuleBasedProcessor::SetFixElement)
.add_property("unk_res_treatment", &RuleBasedProcessor::GetUnkResidueTreatment,
&RuleBasedProcessor::SetUnkResidueTreatment)
.add_property("unk_atom_treatment", &RuleBasedProcessor::GetUnkAtomTreatment,
&RuleBasedProcessor::SetUnkAtomTreatment)
.add_property("strict_hydrogens", &RuleBasedProcessor::GetStrictHydrogens,
&RuleBasedProcessor::SetStrictHydrogens)
;
}
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