Searched refs:sortAtoms (Results 1 – 8 of 8) sorted by relevance
/dports/science/shelxle/shelxle-1.0.1352/ |
H A D | codeeditor.h | 144 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.
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H A D | codeeditor.cpp | 1123 void CodeEditor::sortAtoms(CEnvironment &as){ in sortAtoms() function in CodeEditor 1214 void CodeEditor::sortAtoms(){ in sortAtoms() function in CodeEditor
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H A D | window.cpp | 729 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()
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/dports/science/openbabel/openbabel-3.1.1/src/formats/ |
H A D | mdffformat.cpp | 367 const char * sortAtoms = pConv->IsOption("w", OBConversion::OUTOPTIONS); in WriteMolecule() local 376 if (sortAtoms != nullptr) in WriteMolecule()
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/dports/x11-wm/icewm/icewm-2.9.4/src/ |
H A D | yxapp.h | 241 static int sortAtoms(const void* p1, const void* p2);
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H A D | yxapp.cc | 463 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
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/dports/science/gromacs/gromacs-2021.4/src/gromacs/gmxpreprocess/ |
H A D | pdb2gmx.cpp | 2231 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()
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/dports/science/cdk/cdk-cdk-2.3/tool/smarts/src/main/java/org/openscience/cdk/smarts/ |
H A D | Smarts.java | 3172 sortAtoms(atoms); 3197 private void sortAtoms(IAtom[] atoms) {
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