| /dports/science/cdk/cdk-cdk-2.3/base/core/src/main/java/org/openscience/cdk/atomtype/ |
| H A D | CDKAtomTypeMatcher.java | 245 IBond.Order maxBondOrder = atomContainer.getMaximumBondOrder(atom); in perceiveGallium() local
257 IBond.Order maxBondOrder = atomContainer.getMaximumBondOrder(atom); in perceiveGermanium() local
332 IBond.Order maxBondOrder = atomContainer.getMaximumBondOrder(atom); in perceiveTellurium() local
346 IBond.Order maxBondOrder = atomContainer.getMaximumBondOrder(atom); in perceiveBorons() local
465 Order maxBondOrder = getMaximumBondOrder(connectedBonds); in perceiveCarbons() local
629 IBond.Order maxBondOrder = getMaximumBondOrder(connectedBonds); in perceiveOxygens() local
898 IBond.Order maxBondOrder = getMaximumBondOrder(connectedBonds); in perceiveNitrogens() local
1202 IBond.Order maxBondOrder = getMaximumBondOrder(connectedBonds); in perceiveSulphurs() local
1328 IBond.Order maxBondOrder = getMaximumBondOrder(connectedBonds); in perceivePhosphors() local
1950 IBond.Order maxBondOrder = getMaximumBondOrder(connectedBonds); in perceiveIodine() local
[all …]
|
| /dports/science/cdk/cdk-cdk-2.3/base/valencycheck/src/main/java/org/openscience/cdk/tools/ |
| H A D | SmilesValencyChecker.java | 232 …public boolean couldMatchAtomType(IAtom atom, double bondOrderSum, IBond.Order maxBondOrder, IAtom… in couldMatchAtomType()
263 …c int calculateNumberOfImplicitHydrogens(IAtom atom, double bondOrderSum, IBond.Order maxBondOrder, in calculateNumberOfImplicitHydrogens()
322 IBond.Order maxBondOrder = container.getMaximumBondOrder(atom); in isSaturated() local
380 IBond.Order maxBondOrder = container.getMaximumBondOrder(atom); in couldMatchAtomType() local
|
| H A D | CDKValencyChecker.java | 86 IBond.Order maxBondOrder = container.getMaximumBondOrder(atom); in isSaturated() local
|
| H A D | SaturationChecker.java | 87 IBond.Order maxBondOrder = ac.getMaximumBondOrder(atom); in hasPerfectConfiguration() local
166 IBond.Order maxBondOrder = ac.getMaximumBondOrder(atom); in isSaturated() local
199 IBond.Order maxBondOrder = ac.getMaximumBondOrder(atom); in isOverSaturated() local
|
| /dports/science/cdk/cdk-cdk-2.3/base/data/src/main/java/org/openscience/cdk/ |
| H A D | AtomType.java | 64 IBond.Order maxBondOrder = null; field in AtomType
177 public void setMaxBondOrder(IBond.Order maxBondOrder) { in setMaxBondOrder()
|
| /dports/science/cdk/cdk-cdk-2.3/base/silent/src/main/java/org/openscience/cdk/silent/ |
| H A D | AtomType.java | 61 IBond.Order maxBondOrder = null; field in AtomType
173 public void setMaxBondOrder(IBond.Order maxBondOrder) { in setMaxBondOrder()
|
| /dports/science/cdk/cdk-cdk-2.3/tool/structgen/src/main/java/org/openscience/cdk/atomtype/ |
| H A D | StructGenAtomTypeGuesser.java | 80 IBond.Order maxBondOrder = atomContainer.getMaximumBondOrder(atom); in possibleAtomTypes() local
|
| H A D | StructGenMatcher.java | 88 IBond.Order maxBondOrder = atomContainer.getMaximumBondOrder(atom); in findMatchingAtomType() local
|
| /dports/science/cdk/cdk-cdk-2.3/legacy/src/main/java/org/openscience/cdk/atomtype/ |
| H A D | MM2AtomTypeMatcher.java | 51 IBond.Order maxBondOrder = IBond.Order.SINGLE; field in MM2AtomTypeMatcher
|
| H A D | MMFF94AtomTypeMatcher.java | 54 IBond.Order maxBondOrder = IBond.Order.SINGLE; field in MMFF94AtomTypeMatcher
|
| /dports/science/cdk/cdk-cdk-2.3/descriptor/qsarmolecular/src/main/java/org/openscience/cdk/qsar/descriptors/molecular/ |
| H A D | CarbonTypesDescriptor.java | 165 IBond.Order maxBondOrder = getHighestBondOrder(container, atom); in calculate() local
|
| H A D | TPSADescriptor.java | 253 double maxBondOrder = 0; in calculate() local
|
| /dports/science/xdrawchem/xdrawchem-a3f74c34eb09fa72ee16848ec6901049ca5309d5/xdrawchem/ |
| H A D | atom.h | 51 int maxBondOrder; variable
|
| /dports/science/cdk/cdk-cdk-2.3/base/interfaces/src/main/java/org/openscience/cdk/interfaces/ |
| H A D | IAtomType.java | 70 public void setMaxBondOrder(IBond.Order maxBondOrder); in setMaxBondOrder()
|
| /dports/science/cdk/cdk-cdk-2.3/base/core/src/main/java/org/openscience/cdk/config/ |
| H A D | ImmutableAtomType.java | 54 private final IBond.Order maxBondOrder; field in ImmutableAtomType
277 public void setMaxBondOrder(Order maxBondOrder) { in setMaxBondOrder()
|
| /dports/science/cdk/cdk-cdk-2.3/base/core/src/main/java/org/openscience/cdk/config/atomtypes/ |
| H A D | OWLAtomTypeHandler.java | 50 private Order maxBondOrder; field in OWLAtomTypeHandler
|
| /dports/science/cdk/cdk-cdk-2.3/base/isomorphism/src/main/java/org/openscience/cdk/isomorphism/matchers/ |
| H A D | QueryAtom.java | 83 IBond.Order maxBondOrder = null; field in QueryAtom
378 public void setMaxBondOrder(IBond.Order maxBondOrder) { in setMaxBondOrder()
|
| /dports/science/cdk/cdk-cdk-2.3/tool/charges/src/main/java/org/openscience/cdk/charges/ |
| H A D | GasteigerMarsiliPartialCharges.java | 245 final IBond.Order maxBondOrder = ac.getMaximumBondOrder(atom); in assignGasteigerSigmaMarsiliFactors() local
|
| H A D | InductivePartialCharges.java | 332 private double getCovalentRadius(String symbol, IBond.Order maxBondOrder) { in getCovalentRadius()
|
| /dports/science/cdk/cdk-cdk-2.3/tool/group/src/main/java/org/openscience/cdk/group/ |
| H A D | AtomRefinable.java | 71 private int maxBondOrder; field in AtomRefinable
|
| /dports/science/cdk/cdk-cdk-2.3/base/core/src/main/java/org/openscience/cdk/ |
| H A D | AtomRef.java | 217 public void setMaxBondOrder(IBond.Order maxBondOrder) { in setMaxBondOrder()
|
| /dports/science/cdk/cdk-cdk-2.3/base/datadebug/src/main/java/org/openscience/cdk/debug/ |
| H A D | DebugAtomType.java | 274 public void setMaxBondOrder(IBond.Order maxBondOrder) { in setMaxBondOrder()
|
| H A D | DebugFragmentAtom.java | 197 public void setMaxBondOrder(IBond.Order maxBondOrder) { in setMaxBondOrder()
|
| H A D | DebugAtom.java | 209 public void setMaxBondOrder(IBond.Order maxBondOrder) { in setMaxBondOrder()
|
| H A D | DebugPseudoAtom.java | 183 public void setMaxBondOrder(IBond.Order maxBondOrder) { in setMaxBondOrder()
|