/dports/science/cantera/cantera-2.5.1-611-gc4d6ecc15/include/cantera/thermo/ |
H A D | Elements.h | 126 std::string getElementSymbol(const std::string& ename); 140 std::string getElementSymbol(int atomicNumber);
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/dports/graphics/openorienteering-mapper/mapper-0.9.2/test/ |
H A D | duplicate_equals_t.cpp | 102 QVERIFY(a.getElementSymbol(i) == nullptr || a.getElementSymbol(i) != b.getElementSymbol(i)); in testDecoupling()
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/dports/science/jmol/jmol-14.32.7/src/org/jmol/util/ |
H A D | Elements.java | 280 return "" + isoNumber + getElementSymbol(elemNo); in elementSymbolFromNumber() 282 return getElementSymbol(elemNo); in elementSymbolFromNumber() 284 private static String getElementSymbol(int elemNo) { in getElementSymbol() method in Elements
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/dports/graphics/openorienteering-mapper/mapper-0.9.2/src/core/symbols/ |
H A D | point_symbol.h | 112 Symbol* getElementSymbol(int pos); 114 const Symbol* getElementSymbol(int pos) const;
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H A D | point_symbol.cpp | 431 Symbol* PointSymbol::getElementSymbol(int pos) in getElementSymbol() function in OpenOrienteering::PointSymbol 433 return const_cast<Symbol*>(static_cast<const PointSymbol*>(this)->getElementSymbol(pos)); in getElementSymbol() 436 const Symbol* PointSymbol::getElementSymbol(int pos) const in getElementSymbol() function in OpenOrienteering::PointSymbol 561 object->setSymbol(getElementSymbol(i), true); in dimensionForIcon()
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/dports/science/cantera/cantera-2.5.1-611-gc4d6ecc15/src/thermo/ |
H A D | Elements.cpp | 253 string getElementSymbol(const std::string& ename) in getElementSymbol() function 271 string getElementSymbol(int atomicNumber) in getElementSymbol() function
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/dports/science/cdk/cdk-cdk-2.3/misc/extra/src/main/java/org/openscience/cdk/config/isotopes/ |
H A D | IsotopeHandler.java | 126 currentElement = getElementSymbol(atts); in startElement() 168 private String getElementSymbol(Attributes atts) { in getElementSymbol() method in IsotopeHandler
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/dports/science/jmol/jmol-14.32.7/src/org/jmol/adapter/readers/xtal/ |
H A D | PWmatReader.java | 56 addAtomXYZSymName(tokens, 1, null, getElementSymbol(Integer.parseInt(tokens[0]))); in readCoordinates()
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H A D | XcrysdenReader.java | 90 addAtomXYZSymName(tokens, 1, null, getElementSymbol(Integer.parseInt(tokens[0]))); in readCoordinates()
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/dports/science/jmol/jmol-14.32.7/src/org/jmol/quantum/ |
H A D | NMRCalculation.java | 397 Float ref = shiftRefsPPM.get(atom.getElementSymbol()); in getChemicalShift() 842 subElements[0][pt] = sub.getElementSymbol(); in calc2or3JorNOE() 852 subElements[1][pt] = sub.getElementSymbol(); in calc2or3JorNOE() 911 String e1 = atom4.getElementSymbol(); in getCalcType() 912 String e2 = (atom2 == null ? null : atom2.getElementSymbol()); in getCalcType() 913 String e3 = (atom3 == null ? null : atom3.getElementSymbol()); in getCalcType() 914 String e4 = atom1.getElementSymbol(); in getCalcType()
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/dports/science/jmol/jmol-14.32.7/src/org/jmol/adapter/readers/quantum/ |
H A D | GamessUSReader.java | 298 atom.elementSymbol = getElementSymbol(atomicNumber); in readAtomsInBohrCoordinates() 329 atom.elementSymbol = getElementSymbol(atomicNumber); in readAtomsInAngstromCoordinates()
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H A D | GamessUKReader.java | 117 atom.elementSymbol = getElementSymbol(atomicNumber); in readAtomsInBohrCoordinates()
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H A D | MopacGraphfReader.java | 76 atom.elementSymbol = getElementSymbol(atomicNumbers[i]); in readAtoms()
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/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/ |
H A D | Atom.cpp | 142 res = PeriodicTable::getTable()->getElementSymbol(d_atomicNum); in getSymbol() 299 << PeriodicTable::getTable()->getElementSymbol(d_atomicNum) << ", " in calcExplicitValence() 482 << PeriodicTable::getTable()->getElementSymbol(d_atomicNum) in calcImplicitValence()
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/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/external/qfitlib/tools/python/ |
H A D | obabel.py | 87 def getElementSymbol(self,atom_index): member in Molecule
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/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/Wrap/ |
H A D | Table.cpp | 75 PeriodicTable::getElementSymbol) in wrap()
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/dports/science/jmol/jmol-14.32.7/src/org/jmol/adapter/smarter/ |
H A D | AtomIterator.java | 93 .getElementNumber(atom.getElementSymbol())); in getElementNumber()
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H A D | Atom.java | 109 public String getElementSymbol() { in getElementSymbol() method in Atom
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/dports/science/jmol/jmol-14.32.7/src/org/jmol/adapter/readers/spartan/ |
H A D | SpartanInputReader.java | 112 addAtomXYZSymName(tokens, 1, getElementSymbol(parseIntStr(tokens[0])), null); in readInputAtoms()
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/dports/science/jmol/jmol-14.32.7/src/org/jmol/adapter/readers/more/ |
H A D | ForceFieldReader.java | 80 protected boolean getElementSymbol(Atom atom, String atomType) { in getElementSymbol() method in ForceFieldReader
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H A D | MdTopReader.java | 97 if (!getElementSymbol(atom, atomType)) in finalizeSubclassReader()
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/dports/science/jmol/jmol-14.32.7/src/org/jmol/viewer/ |
H A D | ChimeMessenger.java | 69 + (group3 == null ? a.getElementSymbol() : a.getAtomName()) in getInfoXYZ()
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/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/Descriptors/ |
H A D | MolDescriptors.cpp | 126 std::make_pair(0, table->getElementSymbol(atNum)); in calcMolFormula()
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/dports/science/jmol/jmol-14.32.7/src/org/jmol/api/ |
H A D | JmolAdapter.java | 78 public static String getElementSymbol(int elementNumber) { in getElementSymbol() method in JmolAdapter
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/dports/science/jmol/jmol-14.32.7/src/org/jmol/adapter/readers/simple/ |
H A D | MopacReader.java | 192 elementSymbol = getElementSymbol(atno); in processCoordinates()
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