| /dports/science/cdk/cdk-cdk-2.3/tool/forcefield/src/main/java/org/openscience/cdk/forcefield/mmff/ |
| H A D | MmffAtomTypeMatcher.java | 34 import org.openscience.cdk.smarts.SmartsPattern;
|
| /dports/graphics/graphite2/graphite2-1.3.14/doc/ |
| H A D | intro.asc | 37 There are a number of reasons why someone might want to add Graphite smarts to
|
| /dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/ChemTransforms/ |
| H A D | MolFragmenter.cpp | 178 std::string smarts = "[$(" + sma1 + ")]" + tokens[2] + "[$(" + sma2 + ")]"; in constructFragmenterBondTypes() local
179 ROMol *p = SmartsToMol(smarts); in constructFragmenterBondTypes()
182 BOOST_LOG(rdWarningLog) << "cannot convert SMARTS " << smarts in constructFragmenterBondTypes()
|
| /dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/Depictor/ |
| H A D | testDepictor.cpp | 815 std::string smarts = "[a]12[a][a][a][a][a]1[a][a][a]2"; in testGitHubIssue1073() local
816 RWMol *m = SmartsToMol(smarts); in testGitHubIssue1073()
847 std::string smarts = "*1****2*1***2"; in testConstrainedCoords() local
848 ROMol *refPatt = SmartsToMol(smarts); in testConstrainedCoords()
|
| /dports/games/powder/powder118_src/ |
| H A D | creature.h | 261 { return glb_mobdefs[myDefinition].smarts; } in getSmarts()
919 int smartsCheck(int smarts);
|
| /dports/science/cdk/cdk-cdk-2.3/tool/smarts/src/main/java/org/openscience/cdk/smarts/ |
| H A D | Smarts.java | 24 package org.openscience.cdk.smarts;
2196 public static boolean parse(IAtomContainer mol, String smarts, int flavor) {
2197 Parser state = new Parser(mol, smarts, flavor);
2199 setErrorMesg(smarts, state.pos, state.error);
2216 public static boolean parse(IAtomContainer mol, String smarts) {
2217 return parse(mol, smarts, FLAVOR_LOOSE);
|
| H A D | SmartsFragmentExtractor.java | 24 package org.openscience.cdk.smarts;
|
| /dports/science/cdk/cdk-cdk-2.3/legacy/src/main/java/org/openscience/cdk/smiles/smarts/parser/ |
| H A D | Smarts2MQLVisitor.java | 18 package org.openscience.cdk.smiles.smarts.parser;
|
| H A D | SmartsDumpVisitor.java | 18 package org.openscience.cdk.smiles.smarts.parser;
|
| /dports/science/cdk/cdk-cdk-2.3/legacy/src/test/java/org/openscience/cdk/smiles/smarts/ |
| H A D | SMARTSQueryToolTest.java | 19 package org.openscience.cdk.smiles.smarts;
|
| /dports/science/cdk/cdk-cdk-2.3/tool/smarts/src/test/java/org/openscience/cdk/smarts/ |
| H A D | SmartsPatternTest.java | 25 package org.openscience.cdk.smarts;
|
| H A D | SmartsExprWriteTest.java | 24 package org.openscience.cdk.smarts;
33 import org.openscience.cdk.smarts.Smarts;
|
| H A D | SubstructureTest.java | 25 package org.openscience.cdk.smarts;
|
| /dports/devel/p5-Git-Repository/Git-Repository-1.325/t/ |
| H A D | 20-simple.t | 92 'Git complains about lack of smarts and editor'
115 'Git complains about lack of smarts and editor'
|
| /dports/science/jmol/jmol-14.32.7/src/org/jmol/api/ |
| H A D | JmolViewer.java | 280 abstract public BS getSmartsMatch(String smarts, BS bsSelected) throws Exception; in getSmartsMatch() argument
|
| /dports/textproc/p5-Data-FormValidator/Data-FormValidator-4.88/ |
| H A D | RELEASE_NOTES | 123 coolness(1,10,{fields => [qw/personality smarts good_looks/]});
|
| /dports/comms/qpage/qpage-3.3/ |
| H A D | TODO | 49 - Put more smarts in the client so it will try multiple servers even
|
| /dports/devel/cdecl/cdecl-cdecl-11.9/ |
| H A D | AUTHORS | 38 Alexander Dupuy <dupuy@smarts.com>, <dupuy@cs.columbia.edu>
|
| /dports/science/openbabel/openbabel-3.1.1/src/formats/ |
| H A D | smilesformat.cpp | 2325 bool smarts; member
2330 smarts(_smarts), in OutOptions()
2710 if (options.smarts) { in GetSmilesElement()
2825 if (atom->GetAtomicNum() == OBElements::Hydrogen && options.smarts) in GetSmilesElement()
2845 if (stereo != nullptr && !(options.smarts && atom->GetImplicitHCount() > 0)) in GetSmilesElement()
2853 if (options.smarts && stereo == nullptr) { in GetSmilesElement()
|
| /dports/sysutils/ansible2/ansible-2.9.27/test/integration/targets/apt_repository/tasks/ |
| H A D | apt.yml | 23 # The `apt_repository` module has the smarts to auto-install `python-apt`. To
|
| /dports/games/openclaw/OpenClaw-0.0-51-gbac7730/libwap/ |
| H A D | libwap.h | 330 int32_t smarts; member
|
| /dports/science/jmol/jmol-14.32.7/src/org/jmol/minimize/forcefield/mmff/validate/ |
| H A D | checkmm.spt | 228 var x = {within(smarts,@smartsString)}
|
| /dports/sysutils/py-ansible-base/ansible-base-2.10.15/test/integration/targets/apt_repository/tasks/ |
| H A D | apt.yml | 23 # The `apt_repository` module has the smarts to auto-install `python-apt`. To
|
| /dports/sysutils/py-ansible-core/ansible-core-2.11.6/test/integration/targets/apt_repository/tasks/ |
| H A D | apt.yml | 23 # The `apt_repository` module has the smarts to auto-install `python-apt`. To
|
| /dports/deskutils/calibre/calibre-src-5.34.0/src/calibre/gui2/tweak_book/editor/ |
| H A D | widget.py | 313 return self.editor.smarts.get_smart_selection(self.editor, update=update)
454 self.editor.smarts = None
|