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// Copyright (c) 2015-2018, Novartis Institutes for BioMedical Research Inc.
// All rights reserved.
//
// Redistribution and use in source and binary forms, with or without
// modification, are permitted provided that the following conditions are
// met:
//
// * Redistributions of source code must retain the above copyright
// notice, this list of conditions and the following disclaimer.
// * Redistributions in binary form must reproduce the above
// copyright notice, this list of conditions and the following
// disclaimer in the documentation and/or other materials provided
// with the distribution.
// * Neither the name of Novartis Institutes for BioMedical Research Inc.
// nor the names of its contributors may be used to endorse or promote
// products derived from this software without specific prior written
// permission.
//
// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
//
#ifndef RD_WRAPPED_PROPS_H
#define RD_WRAPPED_PROPS_H
#include <RDBoost/python.h>
#include <RDBoost/pyint_api.h>
#include <RDBoost/Wrap.h>
#include <RDGeneral/Dict.h>
namespace RDKit {
template <class T>
inline const char *GetTypeName() {
// PRECONDITION(0, "Unregistered c++ type");
return "unregistered C++ type";
}
template <>
inline const char *GetTypeName<double>() {
return "a double value";
}
template <>
inline const char *GetTypeName<int>() {
return "an integer value";
}
template <>
inline const char *GetTypeName<unsigned int>() {
return "an unsigned integer value";
}
template <>
inline const char *GetTypeName<bool>() {
return "a True or False value";
}
template <class T, class U>
bool AddToDict(const U &ob, boost::python::dict &dict, const std::string &key) {
T res;
try {
if (ob.getPropIfPresent(key, res)) {
dict[key] = res;
}
} catch (boost::bad_any_cast &) {
return false;
}
return true;
}
template <class T>
boost::python::dict GetPropsAsDict(const T &obj, bool includePrivate,
bool includeComputed) {
boost::python::dict dict;
// precedence double, int, unsigned, std::vector<double>,
// std::vector<int>, std::vector<unsigned>, string
STR_VECT keys = obj.getPropList(includePrivate, includeComputed);
for (size_t i = 0; i < keys.size(); ++i) {
if (AddToDict<int>(obj, dict, keys[i])) continue;
if (AddToDict<unsigned int>(obj, dict, keys[i])) continue;
if (AddToDict<bool>(obj, dict, keys[i])) continue;
if (AddToDict<double>(obj, dict, keys[i])) continue;
if (AddToDict<std::vector<int>>(obj, dict, keys[i])) continue;
if (AddToDict<std::vector<unsigned int>>(obj, dict, keys[i])) continue;
if (AddToDict<std::vector<double>>(obj, dict, keys[i])) continue;
if (AddToDict<std::vector<std::string>>(obj, dict, keys[i])) continue;
if (AddToDict<std::string>(obj, dict, keys[i])) continue;
}
return dict;
}
template <class RDOb, class T>
T GetProp(RDOb *ob, const char *key) {
T res;
try {
if (!ob->getPropIfPresent(key, res)) {
PyErr_SetString(PyExc_KeyError, key);
throw python::error_already_set();
}
return res;
} catch (const boost::bad_any_cast &e) {
throw ValueErrorException(std::string("key `") + key +
"` exists but does not result in " +
GetTypeName<T>());
}
return res;
}
template <class RDOb>
int MolHasProp(const RDOb &mol, const char *key) {
int res = mol.hasProp(key);
// std::cout << "key: " << key << ": " << res << std::endl;
return res;
}
template <class RDOb, class T>
void MolSetProp(const RDOb &mol, const char *key, const T &val,
bool computed = false) {
mol.setProp(key, val, computed);
}
template <class RDOb>
void MolClearProp(const RDOb &mol, const char *key) {
if (!mol.hasProp(key)) {
return;
}
mol.clearProp(key);
}
template <class RDOb>
void MolClearComputedProps(const RDOb &mol) {
mol.clearComputedProps();
}
}
#endif
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