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Searched defs:getAtomicNumber (Results 1 – 25 of 27) sorted by relevance

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/dports/science/cdk/cdk-cdk-2.3/base/interfaces/src/main/java/org/openscience/cdk/interfaces/
H A DIElement.java48 public Integer getAtomicNumber(); in getAtomicNumber() method
/dports/science/cdk/cdk-cdk-2.3/descriptor/cip/src/main/java/org/openscience/cdk/geometry/cip/rules/
H A DAtomicNumberRule.java42 private Integer getAtomicNumber(ILigand ligand) { in getAtomicNumber() method in AtomicNumberRule
/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/StructChecker/
H A DAtomSymbolMatch.cpp70 inline unsigned getAtomicNumber(const std::string symbol) const { in getAtomicNumber() function in RDKit::StructureCheck::AtomSymbolMapper
76 unsigned getAtomicNumber(const std::string symbol) { in getAtomicNumber() function
/dports/science/cdk/cdk-cdk-2.3/base/silent/src/main/java/org/openscience/cdk/silent/
H A DElement.java122 public Integer getAtomicNumber() { in getAtomicNumber() method in Element
/dports/science/cdk/cdk-cdk-2.3/base/data/src/main/java/org/openscience/cdk/
H A DElement.java126 public Integer getAtomicNumber() { in getAtomicNumber() method in Element
/dports/science/avogadrolibs/avogadrolibs-1.94.0/avogadro/core/
H A Dresidue.cpp90 int Residue::getAtomicNumber(std::string name) in getAtomicNumber() function in Avogadro::Core::Residue
/dports/science/py-avogadrolibs/avogadrolibs-1.94.0/avogadro/core/
H A Dresidue.cpp90 int Residue::getAtomicNumber(std::string name) in getAtomicNumber() function in Avogadro::Core::Residue
/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/
H A DPeriodicTable.h71 int getAtomicNumber(const char *elementSymbol) const { in getAtomicNumber() function
77 int getAtomicNumber(const std::string &elementSymbol) const { in getAtomicNumber() function
/dports/science/cdk/cdk-cdk-2.3/base/datadebug/src/main/java/org/openscience/cdk/debug/
H A DDebugElement.java66 public Integer getAtomicNumber() { in getAtomicNumber() method in DebugElement
H A DDebugIsotope.java72 public Integer getAtomicNumber() { in getAtomicNumber() method in DebugIsotope
H A DDebugAtomType.java65 public Integer getAtomicNumber() { in getAtomicNumber() method in DebugAtomType
H A DDebugFragmentAtom.java345 public Integer getAtomicNumber() { in getAtomicNumber() method in DebugFragmentAtom
H A DDebugAtom.java357 public Integer getAtomicNumber() { in getAtomicNumber() method in DebugAtom
H A DDebugPseudoAtom.java331 public Integer getAtomicNumber() { in getAtomicNumber() method in DebugPseudoAtom
/dports/science/cdk/cdk-cdk-2.3/base/core/src/main/java/org/openscience/cdk/config/
H A DNaturalElement.java155 public Integer getAtomicNumber() { in getAtomicNumber() method in NaturalElement
H A DBODRIsotope.java171 public Integer getAtomicNumber() { in getAtomicNumber() method in BODRIsotope
H A DImmutableAtomType.java247 public Integer getAtomicNumber() { in getAtomicNumber() method in ImmutableAtomType
/dports/science/cdk/cdk-cdk-2.3/base/core/src/main/java/org/openscience/cdk/tools/periodictable/
H A DPeriodicTable.java147 public static Integer getAtomicNumber(String symbol) { in getAtomicNumber() method in PeriodicTable
/dports/science/cantera/cantera-2.5.1-611-gc4d6ecc15/src/thermo/
H A DElements.cpp309 int getAtomicNumber(const std::string& ename) in getAtomicNumber() function
/dports/science/jdftx/jdftx-1.6.0/jdftx/fluid/
H A DFluidComponent.cpp42 inline int getAtomicNumber(const char* symbol) in getAtomicNumber() function
/dports/science/cdk/cdk-cdk-2.3/base/core/src/main/java/org/openscience/cdk/
H A DAtomRef.java97 public Integer getAtomicNumber() { in getAtomicNumber() method in AtomRef
/dports/science/coordgenlibs/coordgenlibs-3.0.0/
H A DsketcherMinimizerAtom.h158 int getAtomicNumber() const { return atomicNumber; } in getAtomicNumber() function
/dports/science/openbabel/openbabel-3.1.1/external/coordgen-master/coordgen/
H A DsketcherMinimizerAtom.h158 int getAtomicNumber() const { return atomicNumber; } in getAtomicNumber() function
/dports/science/cdk/cdk-cdk-2.3/base/isomorphism/src/main/java/org/openscience/cdk/isomorphism/matchers/
H A DQueryAtom.java628 public Integer getAtomicNumber() { in getAtomicNumber() method in QueryAtom
/dports/science/cdk/cdk-cdk-2.3/descriptor/cip/src/main/java/org/openscience/cdk/geometry/cip/
H A DImmutableHydrogen.java387 public Integer getAtomicNumber() { in getAtomicNumber() method in ImmutableHydrogen

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