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Searched refs:sortAtoms (Results 1 – 8 of 8) sorted by relevance

/dports/science/shelxle/shelxle-1.0.1352/
H A Dcodeeditor.h144 void sortAtoms();//!< sorts atoms in file acording to the sort option.
145 void sortAtoms(CEnvironment &as);//!< sorts atoms in file acording to the sort option.
H A Dcodeeditor.cpp1123 void CodeEditor::sortAtoms(CEnvironment &as){ in sortAtoms() function in CodeEditor
1214 void CodeEditor::sortAtoms(){ in sortAtoms() function in CodeEditor
H A Dwindow.cpp729 soact=runMenu->addAction("Sort atoms in file.",editor ,SLOT(sortAtoms())); in Window()
12196 editor->sortAtoms( mole.splitLeftAtoms); in split()
12197 editor->sortAtoms( mole.splitRightAtoms); in split()
13561 editor->sortAtoms(); in aula()
/dports/science/openbabel/openbabel-3.1.1/src/formats/
H A Dmdffformat.cpp367 const char * sortAtoms = pConv->IsOption("w", OBConversion::OUTOPTIONS); in WriteMolecule() local
376 if (sortAtoms != nullptr) in WriteMolecule()
/dports/x11-wm/icewm/icewm-2.9.4/src/
H A Dyxapp.h241 static int sortAtoms(const void* p1, const void* p2);
H A Dyxapp.cc463 qsort(atom_info, size_t(num_atoms), sizeof(atom_info[0]), sortAtoms); in initAtoms()
467 int YXApplication::sortAtoms(const void* p1, const void* p2) { in sortAtoms() function in YXApplication
/dports/science/gromacs/gromacs-2021.4/src/gromacs/gmxpreprocess/
H A Dpdb2gmx.cpp2231 t_atoms** sortAtoms = nullptr; in run() local
2233 snew(sortAtoms, numChains); in run()
2406 sort_pdbatoms(restp_chain, natom, &pdba, &sortAtoms[chain], &x, block, &gnames); in run()
2681 sfree(sortAtoms[chain]); in run()
2684 sfree(sortAtoms); in run()
/dports/science/cdk/cdk-cdk-2.3/tool/smarts/src/main/java/org/openscience/cdk/smarts/
H A DSmarts.java3172 sortAtoms(atoms);
3197 private void sortAtoms(IAtom[] atoms) {