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// Copyright (c) 2013-2020, SIB - Swiss Institute of Bioinformatics and
// Biozentrum - University of Basel
//
// Licensed under the Apache License, Version 2.0 (the "License");
// you may not use this file except in compliance with the License.
// You may obtain a copy of the License at
//
// http://www.apache.org/licenses/LICENSE-2.0
//
// Unless required by applicable law or agreed to in writing, software
// distributed under the License is distributed on an "AS IS" BASIS,
// WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
// See the License for the specific language governing permissions and
// limitations under the License.
#include <boost/python.hpp>
#include <promod3/core/message.hh>
#include <promod3/core/export_helper.hh>
#include <promod3/modelling/scoring_weights.hh>
using namespace promod3;
using namespace promod3::modelling;
using namespace boost::python;
// WRAPPERS
namespace {
boost::python::dict WrapGetWeights(bool with_db, bool with_aa,
bool length_dependent, int loop_length) {
boost::python::dict result;
core::ConvertMapToDict(
ScoringWeights::GetInstance().GetWeights(with_db, with_aa,
length_dependent,
loop_length), result);
return result;
}
void WrapSetWeights(bool with_db, bool with_aa, const boost::python::dict& wd,
bool length_dependent, int loop_length) {
std::map<String, Real> weights;
core::ConvertDictToMap(wd, weights);
ScoringWeights::GetInstance().SetWeights(with_db, with_aa, weights,
length_dependent, loop_length);
}
boost::python::dict WrapGetBackboneWeights(bool with_db, bool with_aa,
bool length_dependent,
int loop_length) {
boost::python::dict result;
core::ConvertMapToDict(
ScoringWeights::GetInstance().GetBackboneWeights(with_db, with_aa,
length_dependent,
loop_length),
result);
return result;
}
boost::python::dict WrapGetAllAtomWeights(bool with_db, bool length_dependent,
int loop_length) {
boost::python::dict result;
core::ConvertMapToDict(
ScoringWeights::GetInstance().GetAllAtomWeights(with_db,
length_dependent,
loop_length), result);
return result;
}
String WrapGetStemRMSDsKey() {
return ScoringWeights::GetInstance().GetStemRMSDsKey();
}
void WrapSetStemRMSDsKey(const String& key) {
return ScoringWeights::GetInstance().SetStemRMSDsKey(key);
}
String WrapGetSequenceProfileScoresKey() {
return ScoringWeights::GetInstance().GetSequenceProfileScoresKey();
}
void WrapSetSequenceProfileScoresKey(const String& key) {
return ScoringWeights::GetInstance().SetSequenceProfileScoresKey(key);
}
String WrapGetStructureProfileScoresKey() {
return ScoringWeights::GetInstance().GetStructureProfileScoresKey();
}
void WrapSetStructureProfileScoresKey(const String& key) {
return ScoringWeights::GetInstance().SetStructureProfileScoresKey(key);
}
boost::python::list WrapGetBackboneScoringKeys() {
boost::python::list result;
core::AppendVectorToList(
ScoringWeights::GetInstance().GetBackboneScoringKeys(), result);
return result;
}
void WrapSetBackboneScoringKeys(const boost::python::list& key_list) {
std::vector<String> keys;
core::ConvertListToVector(key_list, keys);
ScoringWeights::GetInstance().SetBackboneScoringKeys(keys);
}
boost::python::list WrapGetAllAtomScoringKeys() {
boost::python::list result;
core::AppendVectorToList(
ScoringWeights::GetInstance().GetAllAtomScoringKeys(), result);
return result;
}
void WrapSetAllAtomScoringKeys(const boost::python::list& key_list) {
std::vector<String> keys;
core::ConvertListToVector(key_list, keys);
ScoringWeights::GetInstance().SetAllAtomScoringKeys(keys);
}
} // anon wrapper ns
void export_scoring_weights() {
class_<ScoringWeights>("ScoringWeights", no_init)
.def("GetWeights", WrapGetWeights,
(arg("with_db")=false, arg("with_aa")=false,
arg("length_dependent")=false, arg("loop_length")=-1))
.staticmethod("GetWeights")
.def("SetWeights", WrapSetWeights,
(arg("with_db"), arg("with_aa"), arg("weights"),
arg("length_dependent")=false, arg("loop_length")=-1))
.staticmethod("SetWeights")
.def("GetBackboneWeights", WrapGetBackboneWeights,
(arg("with_db")=false, arg("with_aa")=false,
arg("length_dependent")=false, arg("loop_length")=-1))
.staticmethod("GetBackboneWeights")
.def("GetAllAtomWeights", WrapGetAllAtomWeights,
(arg("with_db")=false, arg("length_dependent")=false,
arg("loop_length")=-1))
.staticmethod("GetAllAtomWeights")
.def("GetStemRMSDsKey", WrapGetStemRMSDsKey)
.staticmethod("GetStemRMSDsKey")
.def("SetStemRMSDsKey", WrapSetStemRMSDsKey, (arg("key")))
.staticmethod("SetStemRMSDsKey")
.def("GetSequenceProfileScoresKey", WrapGetSequenceProfileScoresKey)
.staticmethod("GetSequenceProfileScoresKey")
.def("SetSequenceProfileScoresKey", WrapSetSequenceProfileScoresKey,
(arg("key")))
.staticmethod("SetSequenceProfileScoresKey")
.def("GetStructureProfileScoresKey", WrapGetStructureProfileScoresKey)
.staticmethod("GetStructureProfileScoresKey")
.def("SetStructureProfileScoresKey", WrapSetStructureProfileScoresKey,
(arg("key")))
.staticmethod("SetStructureProfileScoresKey")
.def("GetBackboneScoringKeys", WrapGetBackboneScoringKeys)
.staticmethod("GetBackboneScoringKeys")
.def("SetBackboneScoringKeys", WrapSetBackboneScoringKeys, (arg("keys")))
.staticmethod("SetBackboneScoringKeys")
.def("GetAllAtomScoringKeys", WrapGetAllAtomScoringKeys)
.staticmethod("GetAllAtomScoringKeys")
.def("SetAllAtomScoringKeys", WrapSetAllAtomScoringKeys, (arg("keys")))
.staticmethod("SetAllAtomScoringKeys")
;
}
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