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| # | |
| # Copyright (C) from 2009 to Present EPAM Systems. | |
| # | |
| # This file is part of Indigo toolkit. | |
| # | |
| # 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. | |
| from . import * | |
| class IndigoInchi(object): | |
| def __init__(self, indigo): | |
| self.indigo = indigo | |
| if os.name == 'posix' and not platform.mac_ver()[0] and not platform.system().startswith("CYGWIN"): | |
| self._lib = CDLL(indigo.dllpath + "/libindigo-inchi.so") | |
| elif os.name == 'nt' or platform.system().startswith("CYGWIN"): | |
| self._lib = CDLL(indigo.dllpath + "\indigo-inchi.dll") | |
| elif platform.mac_ver()[0]: | |
| self._lib = CDLL(indigo.dllpath + "/libindigo-inchi.dylib") | |
| else: | |
| raise IndigoException("unsupported OS: " + os.name) | |
| self._lib.indigoInchiVersion.restype = c_char_p | |
| self._lib.indigoInchiVersion.argtypes = [] | |
| self._lib.indigoInchiResetOptions.restype = c_int | |
| self._lib.indigoInchiResetOptions.argtypes = [] | |
| self._lib.indigoInchiLoadMolecule.restype = c_int | |
| self._lib.indigoInchiLoadMolecule.argtypes = [c_char_p] | |
| self._lib.indigoInchiGetInchi.restype = c_char_p | |
| self._lib.indigoInchiGetInchi.argtypes = [c_int] | |
| self._lib.indigoInchiGetInchiKey.restype = c_char_p | |
| self._lib.indigoInchiGetInchiKey.argtypes = [c_char_p] | |
| self._lib.indigoInchiGetWarning.restype = c_char_p | |
| self._lib.indigoInchiGetWarning.argtypes = [] | |
| self._lib.indigoInchiGetLog.restype = c_char_p | |
| self._lib.indigoInchiGetLog.argtypes = [] | |
| self._lib.indigoInchiGetAuxInfo.restype = c_char_p | |
| self._lib.indigoInchiGetAuxInfo.argtypes = [] | |
| def resetOptions(self): | |
| self.indigo._setSessionId() | |
| self.indigo._checkResult(self._lib.indigoInchiResetOptions()) | |
| def loadMolecule(self, inchi): | |
| self.indigo._setSessionId() | |
| res = self.indigo._checkResult(self._lib.indigoInchiLoadMolecule(inchi.encode('ascii'))) | |
| if res == 0: | |
| return None | |
| return self.indigo.IndigoObject(self.indigo, res) | |
| def version(self): | |
| self.indigo._setSessionId() | |
| return self.indigo._checkResultString(self._lib.indigoInchiVersion()) | |
| def getInchi(self, molecule): | |
| self.indigo._setSessionId() | |
| return self.indigo._checkResultString(self._lib.indigoInchiGetInchi(molecule.id)) | |
| def getInchiKey(self, inchi): | |
| self.indigo._setSessionId() | |
| return self.indigo._checkResultString(self._lib.indigoInchiGetInchiKey(inchi.encode('ascii'))) | |
| def getWarning(self): | |
| self.indigo._setSessionId() | |
| return self.indigo._checkResultString(self._lib.indigoInchiGetWarning()) | |
| def getLog(self): | |
| self.indigo._setSessionId() | |
| return self.indigo._checkResultString(self._lib.indigoInchiGetLog()) | |
| def getAuxInfo(self): | |
| self.indigo._setSessionId() | |
| return self.indigo._checkResultString(self._lib.indigoInchiGetAuxInfo()) | |