Searched refs:atomSetCount (Results 1 – 17 of 17) sorted by relevance
94 public int atomSetCount; field in AtomSetCollection374 int n = atomSetCount; in reverseObject()386 int n = atomSetCount; in reverseArray()426 atomSetCount = 0; in finish()445 atomSetCount = 0; in discardPreviousAtoms()463 atomSetCount--; in removeCurrentAtomSet()544 if (atomSetCount == 0) in addAtom()1072 int i = (atomSetIndex >= atomSetCount ? atomSetCount - 1 in getAtomSetAuxiliaryInfo()1200 atomSetCount--; in removeLastUnselectedAtoms()1207 while (atomSetCount > 0 && atomSetAtomCounts[atomSetCount - 1] == 0) in checkNoEmptyModel()[all …]
300 baseModelIndex += asc.atomSetCount; in fixBaseIndices()399 if (asc.atomSetCount > 0) { in finalizeReaderASCR()400 if (asc.atomSetCount == 1) { in finalizeReaderASCR()426 for (int i = asc.atomSetCount; --i >= 0;) { in finalizeReaderASCR()432 for (int i = asc.atomSetCount; --i >= 0;) { in finalizeReaderASCR()439 for (int i = asc.atomSetCount; --i >= 0;) { in finalizeReaderASCR()500 for (int i = asc.atomSetCount; --i >= 0;) { in finish()1343 + asc.atomSetCount); in finalizeMOData()
398 return ((AtomSetCollection)asc).atomSetCount; in getAtomSetCount()
719 || asc.atomSetCount == 1 && asc.checkSpecial && latticeOp >= 0); in applyAllSymmetry()
220 for (int i = model.atomSetCount; --i >= 0;) in processModelData()270 int nModels = a.atomSetCount; in setBonding()294 int n = asc.atomSetCount; in updateModelIDs()353 n = asc.atomSetCount; in processPeakData()368 for (int i = asc.atomSetCount; --i >= 0;) in processPeakData()375 for (int i = asc.atomSetCount; --i >= 0;) in processPeakData()381 for (int i = asc.atomSetCount; --i >= 0;) { in findModelById()
158 Logger.info(asc.atomSetCount + " model " + modelNumber + " step " in checkLine()646 setMOData(moModelSet != asc.atomSetCount); in readMolecularOrbitals()647 moModelSet = asc.atomSetCount; in readMolecularOrbitals()743 appendLoadNote("model " + asc.atomSetCount + ": " + name); in readFrequencies()784 Logger.info("Molecular dipole for model " + asc.atomSetCount in readDipoleMoment()820 Logger.info("Mulliken charges found for Model " + asc.atomSetCount); in readPartialCharges()
111 appendLoadNote("model " + asc.atomSetCount + ": " + name); in checkForFreq()258 Logger.info("Molecular dipole for model " + asc.atomSetCount in readDipoleMoment()275 Logger.info("Mulliken charges found for Model " + asc.atomSetCount); in readPartialCharges()
74 if (asc.atomSetCount == 1 && moData != null)576 else if (asc.atomSetCount > 0) in readGeometryOptimization()
482 + asc.atomSetCount + " = " + dipole); in readDipoleMoment()
184 Logger.info("Using NBO charges for Model " + asc.atomSetCount); in getNboCharges()
491 int firstFrequencyAtomSetIndex = asc.atomSetCount; in readFrequencies()
70 for (int i = reader.asc.atomSetCount; --i >= 0;) { in finalizeRna3d()155 int[] indices = new int[reader.asc.atomSetCount + 1]; in getModelAtomIndices()
197 for (int is = 0; is < asc.atomSetCount; is++) { in sortAssemblyModels()218 if (++lastSet < asc.atomSetCount) in sortAssemblyModels()219 asc.atomSetCount = lastSet; in sortAssemblyModels()1227 if (iHaveDesiredModel && asc.atomSetCount > 0 && !isAssembly) { in incrementModel()
218 if (asc.atomSetCount == 0) in readAllData()337 if (asc.atomSetCount > titleAtomSet) in addModelTitle()338 appendLoadNote("\nMODEL: " + (titleAtomSet = asc.atomSetCount)); in addModelTitle()466 asc.atomSetCount--; in finalizeSubclassReader()469 int n = asc.atomSetCount; in finalizeSubclassReader()
472 int atomSetCount = node.getLeafCount(); in setIndexes() local473 indexes = new int[atomSetCount]; in setIndexes()482 selectSlider.setEnabled(atomSetCount > 0); in setIndexes()483 selectSlider.setMaximum(atomSetCount - 1); in setIndexes()
439 int n = asc.atomSetCount; in finalizeReaderPDB()2060 for (int i = connectNextAtomSet; i < asc.atomSetCount; i++) { in connectAllBad()2091 for (int i = a.atomSetCount; --i >= connectNextAtomSet;) { in connectAll()
911 Logger.info("oriented unit cell is in model " + asc.atomSetCount); in setUnitCellOrientation()1751 int n = asc.atomSetCount; in getModelForMode()