Searched defs:iAtomType (Results 1 – 5 of 5) sorted by relevance
15 unsigned int iAtomType; variable24 unsigned int iAtomType; variable34 unsigned int iAtomType; variable44 unsigned int iAtomType; variable54 unsigned int iAtomType; variable
754 unsigned int iAtomType = boost::lexical_cast<unsigned int>(*token); in MMFFChgCollection() local2123 unsigned int iAtomType = boost::lexical_cast<unsigned int>(*token); in MMFFAngleCollection() local4539 unsigned int iAtomType = boost::lexical_cast<unsigned int>(*token); in MMFFStbnCollection() local4953 unsigned int iAtomType = boost::lexical_cast<unsigned int>(*token); in MMFFOopCollection() local5272 unsigned int iAtomType = boost::lexical_cast<unsigned int>(*token); in MMFFTorCollection() local
271 const unsigned int bondType, const unsigned int iAtomType, in getMMFFChgParams()678 const unsigned int bondType2, const unsigned int iAtomType, in getMMFFStbnParams()935 const unsigned int iAtomType, const unsigned int jAtomType, in getMMFFTorParams()
68 unsigned int iAtomType = mmffMolProperties->getMMFFAtomType(idx1); in addBonds() local279 unsigned int iAtomType = mmffMolProperties->getMMFFAtomType(idx[0]); in addAngles() local401 unsigned int iAtomType = mmffMolProperties->getMMFFAtomType(idx[0]); in addStretchBend() local707 unsigned int iAtomType = in addTorsions() local831 unsigned int iAtomType = mmffMolProperties->getMMFFAtomType(i); in addVdW() local917 const unsigned int iAtomType = mmffMolProperties->getMMFFAtomType(i); in addEle() local
3663 unsigned int iAtomType = getMMFFAtomType(idx1); in getMMFFBondStretchParams() local3875 const unsigned int iAtomType = getMMFFAtomType(idx1); in getMMFFVdWParams() local