Searched refs:AtomLabel (Results 1 – 9 of 9) sorted by relevance
122 return QString("r(%1--%2)").arg(m_pDocument->AtomLabel(m_iAt), m_pDocument->AtomLabel(m_jAt)); in Name()160 …\u03b1(%1 | %2 | %3)")).arg(m_pDocument->AtomLabel(m_iAt), m_pDocument->AtomLabel(m_jAt), m_pDocum… in Name()205 … %4)")).arg(m_pDocument->AtomLabel(m_iAt), m_pDocument->AtomLabel(m_jAt), m_pDocument->AtomLabel(m… in Name()
259 std::string AtomLabel(int iAt) const;614 QString AtomLabel(int iAt) const;
201 str << m_pDocument->AtomLabel(iAt); in UpdateExcludedAtoms()
258 QString FDocument::AtomLabel(int iAt) const in AtomLabel() function in FDocument1958 std::string FChargeAnalysis::AtomLabel(int iAt) const in AtomLabel() function in FChargeAnalysis2719 str << AtomLabel(iSelectedAtoms[ii]); in UpdateSelectedAtomsStatusText()
2206 Str255 AtomLabel; in WriteToFile() local2208 AtomLabel[AtomLabel[0]+1] = 0; in WriteToFile()2236 Str255 AtomLabel; in WriteToFile() local2237 Prefs->GetAtomLabel(atomTypes[i]-1, AtomLabel); in WriteToFile()2238 AtomLabel[AtomLabel[0]+1] = 0; in WriteToFile()2317 Str255 AtomLabel; in WriteToFile() local2319 AtomLabel[AtomLabel[0]+1] = 0; in WriteToFile()4210 Str255 AtomLabel; in WriteCoordinatesToFile() local4215 AtomLabel[AtomLabel[0]+1] = 0; in WriteCoordinatesToFile()4240 Str255 AtomLabel; in WriteMPCZMatCoordinatesToFile() local[all …]
192 std::string AtomLabel; in ReadAtom() local203 AtomLabel = tokens.at(0); in ReadAtom()223 AtomicNumber = LabelToAtomicNumber( AtomLabel ); in ReadAtom()
1361 > <atom.prop.AtomLabel> (1)
2888 If Atom.Debug.KB.Generation is "true", 'AtomLabel-KBproj'.index
8254 If Atom.Debug.KB.Generation is "true", 'AtomLabel-KBproj'.index11889 AtomLabel.Ll.nsm.confpot