/dports/science/py-avogadrolibs/avogadrolibs-1.94.0/avogadro/qtgui/ |
H A D | molecule.cpp | 119 removeBond(atomBonds.back()); in removeAtom() 215 bool Molecule::removeBond(Index index) in removeBond() function in Avogadro::QtGui::Molecule 243 bool Molecule::removeBond(const BondType& bond_) in removeBond() function in Avogadro::QtGui::Molecule 245 return removeBond(bond_.index()); in removeBond() 248 bool Molecule::removeBond(const AtomType& a, const AtomType& b) in removeBond() function in Avogadro::QtGui::Molecule 250 return removeBond(bond(a, b).index()); in removeBond() 253 bool Molecule::removeBond(Index a, Index b) in removeBond() function in Avogadro::QtGui::Molecule 255 return removeBond(bond(a, b).index()); in removeBond()
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H A D | rwmolecule.h | 377 bool removeBond(Index bondId); 378 bool removeBond(const BondType& bond); 379 bool removeBond(Index atom1, Index atom2); 380 bool removeBond(const AtomType& atom1, const AtomType& atom2); 802 inline bool RWMolecule::removeBond(const RWMolecule::BondType& b) in removeBond() function 804 return b.molecule() == this ? removeBond(b.index()) : false; in removeBond() 807 inline bool RWMolecule::removeBond(Index atom1, Index atom2) in removeBond() function 809 return removeBond(bond(atom1, atom2).index()); in removeBond() 812 inline bool RWMolecule::removeBond(const RWMolecule::AtomType& atom1, in removeBond() function 817 return removeBond(bond(atom1.index(), atom2.index()).index()); in removeBond()
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H A D | molecule.h | 180 bool removeBond(Index index) override; 188 bool removeBond(const BondType& bond) override; 198 bool removeBond(const AtomType& atom1, const AtomType& atom2) override; 199 bool removeBond(Index atom1, Index atom2) override;
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/dports/science/avogadrolibs/avogadrolibs-1.94.0/avogadro/qtgui/ |
H A D | molecule.cpp | 119 removeBond(atomBonds.back()); in removeAtom() 215 bool Molecule::removeBond(Index index) in removeBond() function in Avogadro::QtGui::Molecule 243 bool Molecule::removeBond(const BondType& bond_) in removeBond() function in Avogadro::QtGui::Molecule 245 return removeBond(bond_.index()); in removeBond() 248 bool Molecule::removeBond(const AtomType& a, const AtomType& b) in removeBond() function in Avogadro::QtGui::Molecule 250 return removeBond(bond(a, b).index()); in removeBond() 253 bool Molecule::removeBond(Index a, Index b) in removeBond() function in Avogadro::QtGui::Molecule 255 return removeBond(bond(a, b).index()); in removeBond()
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H A D | rwmolecule.h | 377 bool removeBond(Index bondId); 378 bool removeBond(const BondType& bond); 379 bool removeBond(Index atom1, Index atom2); 380 bool removeBond(const AtomType& atom1, const AtomType& atom2); 802 inline bool RWMolecule::removeBond(const RWMolecule::BondType& b) in removeBond() function 804 return b.molecule() == this ? removeBond(b.index()) : false; in removeBond() 807 inline bool RWMolecule::removeBond(Index atom1, Index atom2) in removeBond() function 809 return removeBond(bond(atom1, atom2).index()); in removeBond() 812 inline bool RWMolecule::removeBond(const RWMolecule::AtomType& atom1, in removeBond() function 817 return removeBond(bond(atom1.index(), atom2.index()).index()); in removeBond()
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H A D | molecule.h | 180 bool removeBond(Index index) override; 188 bool removeBond(const BondType& bond) override; 198 bool removeBond(const AtomType& atom1, const AtomType& atom2) override; 199 bool removeBond(Index atom1, Index atom2) override;
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/dports/science/cdk/cdk-cdk-2.3/tool/structgen/src/main/java/org/openscience/cdk/structgen/ |
H A D | RandomGenerator.java | 215 ac.removeBond(b1); in mutate() 226 ac.removeBond(b2); in mutate() 237 ac.removeBond(b3); in mutate() 248 ac.removeBond(b4); in mutate()
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H A D | VicinitySampler.java | 191 ac.removeBond(b1); in change() 205 ac.removeBond(b2); in change() 219 ac.removeBond(b3); in change() 233 ac.removeBond(b4); in change()
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/dports/science/cdk/cdk-cdk-2.3/base/interfaces/src/main/java/org/openscience/cdk/interfaces/ |
H A D | IAtomContainer.java | 553 IBond removeBond(int position); in removeBond() method 562 IBond removeBond(IAtom atom1, IAtom atom2); in removeBond() method 569 void removeBond(IBond bond); in removeBond() method
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/dports/science/cdk/cdk-cdk-2.3/base/datadebug/src/main/java/org/openscience/cdk/debug/ |
H A D | DebugAtomContainer.java | 522 public IBond removeBond(int pos) { in removeBond() method in DebugAtomContainer 524 return super.removeBond(pos); in removeBond() 531 public IBond removeBond(IAtom atom1, IAtom atom2) { in removeBond() method in DebugAtomContainer 533 return super.removeBond(atom1, atom2); in removeBond() 540 public void removeBond(IBond bond) { in removeBond() method in DebugAtomContainer 542 super.removeBond(bond); in removeBond()
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H A D | DebugPolymer.java | 444 public IBond removeBond(int pos) { in removeBond() method in DebugPolymer 446 return super.removeBond(pos); in removeBond() 451 public IBond removeBond(IAtom atom1, IAtom atom2) { in removeBond() method in DebugPolymer 453 return super.removeBond(atom1, atom2); in removeBond() 458 public void removeBond(IBond bond) { in removeBond() method in DebugPolymer 460 super.removeBond(bond); in removeBond()
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H A D | DebugMonomer.java | 442 public IBond removeBond(int pos) { in removeBond() method in DebugMonomer 444 return super.removeBond(pos); in removeBond() 449 public IBond removeBond(IAtom atom1, IAtom atom2) { in removeBond() method in DebugMonomer 451 return super.removeBond(atom1, atom2); in removeBond() 456 public void removeBond(IBond bond) { in removeBond() method in DebugMonomer 458 super.removeBond(bond); in removeBond()
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H A D | DebugAminoAcid.java | 442 public IBond removeBond(int pos) { in removeBond() method in DebugAminoAcid 444 return super.removeBond(pos); in removeBond() 449 public IBond removeBond(IAtom atom1, IAtom atom2) { in removeBond() method in DebugAminoAcid 451 return super.removeBond(atom1, atom2); in removeBond() 456 public void removeBond(IBond bond) { in removeBond() method in DebugAminoAcid 458 super.removeBond(bond); in removeBond()
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H A D | DebugStrand.java | 444 public IBond removeBond(int pos) { in removeBond() method in DebugStrand 446 return super.removeBond(pos); in removeBond() 451 public IBond removeBond(IAtom atom1, IAtom atom2) { in removeBond() method in DebugStrand 453 return super.removeBond(atom1, atom2); in removeBond() 458 public void removeBond(IBond bond) { in removeBond() method in DebugStrand 460 super.removeBond(bond); in removeBond()
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H A D | DebugRing.java | 467 public IBond removeBond(int pos) { in removeBond() method in DebugRing 469 return super.removeBond(pos); in removeBond() 474 public IBond removeBond(IAtom atom1, IAtom atom2) { in removeBond() method in DebugRing 476 return super.removeBond(atom1, atom2); in removeBond() 481 public void removeBond(IBond bond) { in removeBond() method in DebugRing 483 super.removeBond(bond); in removeBond()
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H A D | DebugCrystal.java | 452 public IBond removeBond(int pos) { in removeBond() method in DebugCrystal 454 return super.removeBond(pos); in removeBond() 459 public IBond removeBond(IAtom atom1, IAtom atom2) { in removeBond() method in DebugCrystal 461 return super.removeBond(atom1, atom2); in removeBond() 466 public void removeBond(IBond bond) { in removeBond() method in DebugCrystal 468 super.removeBond(bond); in removeBond()
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H A D | DebugBioPolymer.java | 445 public IBond removeBond(int pos) { in removeBond() method in DebugBioPolymer 447 return super.removeBond(pos); in removeBond() 452 public IBond removeBond(IAtom atom1, IAtom atom2) { in removeBond() method in DebugBioPolymer 454 return super.removeBond(atom1, atom2); in removeBond() 459 public void removeBond(IBond bond) { in removeBond() method in DebugBioPolymer 461 super.removeBond(bond); in removeBond()
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/dports/science/cdk/cdk-cdk-2.3/base/silent/src/main/java/org/openscience/cdk/silent/ |
H A D | AtomContainer.java | 892 removeBond(atomContainer.getBond(f)); 929 public IBond removeBond(int position) { 943 public IBond removeBond(IAtom atom1, IAtom atom2) { 948 removeBond(pos); 957 public void removeBond(IBond bond) { 959 if (pos != -1) removeBond(pos); 1013 if (number < this.bondCount) return removeBond(number); 1028 removeBond((IBond) electronContainer); 1053 removeBond(i); 1490 removeBond(--pointer); [all …]
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/dports/science/cdk/cdk-cdk-2.3/base/data/src/main/java/org/openscience/cdk/ |
H A D | AtomContainer.java | 916 removeBond(atomContainer.getBond(f)); 955 public IBond removeBond(int position) { 971 public IBond removeBond(IAtom atom1, IAtom atom2) { 976 removeBond(pos); 985 public void removeBond(IBond bond) { 987 if (pos != -1) removeBond(pos); 1045 if (number < this.bondCount) return removeBond(number); 1060 removeBond((IBond) electronContainer); 1085 removeBond(i); 1555 removeBond(--pointer); [all …]
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/dports/science/py-avogadrolibs/avogadrolibs-1.94.0/avogadro/core/ |
H A D | molecule.cpp | 354 removeBond(atomBonds.back()); in removeAtom() 484 bool Molecule::removeBond(Index index) in removeBond() function in Avogadro::Core::Molecule 499 bool Molecule::removeBond(const BondType& bond_) in removeBond() function in Avogadro::Core::Molecule 501 return removeBond(bond_.index()); in removeBond() 504 bool Molecule::removeBond(Index a, Index b) in removeBond() function in Avogadro::Core::Molecule 506 return removeBond(bond(a, b).index()); in removeBond() 509 bool Molecule::removeBond(const AtomType& a, const AtomType& b) in removeBond() function in Avogadro::Core::Molecule 511 return removeBond(bond(a, b).index()); in removeBond() 517 removeBond(0); in clearBonds()
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/dports/science/avogadrolibs/avogadrolibs-1.94.0/avogadro/core/ |
H A D | molecule.cpp | 354 removeBond(atomBonds.back()); in removeAtom() 484 bool Molecule::removeBond(Index index) in removeBond() function in Avogadro::Core::Molecule 499 bool Molecule::removeBond(const BondType& bond_) in removeBond() function in Avogadro::Core::Molecule 501 return removeBond(bond_.index()); in removeBond() 504 bool Molecule::removeBond(Index a, Index b) in removeBond() function in Avogadro::Core::Molecule 506 return removeBond(bond(a, b).index()); in removeBond() 509 bool Molecule::removeBond(const AtomType& a, const AtomType& b) in removeBond() function in Avogadro::Core::Molecule 511 return removeBond(bond(a, b).index()); in removeBond() 517 removeBond(0); in clearBonds()
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/dports/science/cdk/cdk-cdk-2.3/base/isomorphism/src/main/java/org/openscience/cdk/isomorphism/matchers/ |
H A D | RGroupQuery.java | 352 boolean removeBond = false; in findConfigurationsRecursively() 355 removeBond = true; in findConfigurationsRecursively() 358 removeBond = true; in findConfigurationsRecursively() 360 if (removeBond) { in findConfigurationsRecursively() 361 rootClone.removeBond(cloneBond); in findConfigurationsRecursively()
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H A D | QueryAtomContainer.java | 419 removeBond(--pointer); 549 removeBond(--pointer); 1088 removeBond(atomContainer.getBond(f)); 1137 public IBond removeBond(int position) { 1157 public IBond removeBond(IAtom atom1, IAtom atom2) { 1162 removeBond(pos); 1173 public void removeBond(IBond bond) { 1175 if (pos != -1) removeBond(pos); 1244 if (number < this.bondCount) return removeBond(number); 1260 removeBond((IBond) electronContainer); [all …]
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/dports/science/cdk/cdk-cdk-2.3/base/core/src/main/java/org/openscience/cdk/graph/ |
H A D | AllPairsShortestPaths.java | 457 … public IBond removeBond(int position) { 463 … public IBond removeBond(IAtom atom1, IAtom atom2) { 469 … public void removeBond(IBond bond) {
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/dports/science/cdk/cdk-cdk-2.3/base/test-standard/src/test/java/org/openscience/cdk/tools/manipulator/ |
H A D | AtomContainerComparatorTest.java | 116 hexaneNitrogen.removeBond(0); in testCompare_Ring_NonRing() 131 hexaneNitrogen.removeBond(0); in testCompare_Ring_NonRing2()
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