public class MoleculeFactory extends Object
Constructor and Description |
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MoleculeFactory() |
Modifier and Type | Method and Description |
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static IMolecule |
loadMolecule(String inFile) |
static Molecule |
make123Triazole()
Returns 1,2,3-triazole without explicit hydrogens.
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static Molecule |
make124Triazole()
Returns 1,2,4-triazole without explicit hydrogens.
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static Molecule |
make4x3CondensedRings() |
static IMolecule |
makeAdenine() |
static Molecule |
makeAlkane(int chainLength)
Generate an Alkane (chain of carbons with no hydrogens) of a given length.
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static Molecule |
makeAlphaPinene() |
static Molecule |
makeAzulene()
Returns azulene without explicit hydrogens.
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static Molecule |
makeBenzene() |
static Molecule |
makeBicycloRings() |
static Molecule |
makeBiphenyl()
Returns biphenyl without explicit hydrogens.
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static Molecule |
makeBranchedAliphatic() |
static Molecule |
makeCyclobutadiene()
Returns cyclobutadiene without explicit hydrogens.
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static Molecule |
makeCyclobutane()
Returns cyclobutane without explicit hydrogens.
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static Molecule |
makeCyclohexane()
Returns cyclohexane without explicit hydrogens.
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static Molecule |
makeCyclohexene()
Returns cyclohexene without explicit hydrogens.
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static Molecule |
makeCyclopentane()
Returns cyclopentane without explicit hydrogens.
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static Molecule |
makeDiamantane() |
static Molecule |
makeEthylCyclohexane() |
static Molecule |
makeEthylPropylPhenantren() |
static Molecule |
makeFusedRings() |
static Molecule |
makeImidazole()
Returns imidazole without explicit hydrogens.
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static Molecule |
makeIndole()
Returns indole without explicit hydrogens.
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static Molecule |
makeIsothiazole()
Returns isothiazole without explicit hydrogens.
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static Molecule |
makeIsoxazole()
Returns Isoxazole without explicit hydrogens.
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static Molecule |
makeMethylDecaline() |
static Molecule |
makeOxadiazole()
Returns oxadiazole without explicit hydrogens.
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static Molecule |
makeOxazole()
Returns Oxazole without explicit hydrogens.
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static Molecule |
makePhenylAmine() |
static Molecule |
makePhenylEthylBenzene() |
static Molecule |
makePiperidine() |
static Molecule |
makePropylCycloPropane() |
static Molecule |
makePyrazole()
Returns pyrazole without explicit hydrogens.
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static Molecule |
makePyridazine()
Returns pyridazine without explicit hydrogens.
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static Molecule |
makePyridine()
Returns pyridine without explicit hydrogens.
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static Molecule |
makePyridineOxide()
Returns pyridine oxide without explicit hydrogens.
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static Molecule |
makePyrimidine()
Returns pyrimidine without explicit hydrogens.
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static Molecule |
makePyrrole()
Returns pyrrole without explicit hydrogens.
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static Molecule |
makePyrroleAnion()
Returns pyrrole anion without explicit hydrogens.
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static Molecule |
makeQuinone() |
static Molecule |
makeSingleRing() |
static Molecule |
makeSpiroRings() |
static Molecule |
makeSteran() |
static Molecule |
makeTetrahydropyran() |
static Molecule |
makeTetrazole()
Returns tetrazole without explicit hydrogens.
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static Molecule |
makeThiadiazole()
Returns thiadiazole without explicit hydrogens.
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static Molecule |
makeThiazole()
Returns thiazole without explicit hydrogens.
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static Molecule |
makeTriazine()
Returns triazine without explicit hydrogens.
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public static Molecule makeAlphaPinene()
public static Molecule makeAlkane(int chainLength)
This method was written by Stephen Tomkinson.
chainLength
- The number of carbon atoms to have in the chain.public static Molecule makeEthylCyclohexane()
public static Molecule makeCyclohexene()
public static Molecule makeCyclohexane()
public static Molecule makeCyclopentane()
public static Molecule makeCyclobutane()
public static Molecule makeCyclobutadiene()
public static Molecule makePropylCycloPropane()
public static Molecule makeBiphenyl()
public static Molecule makePhenylEthylBenzene()
public static Molecule makePhenylAmine()
public static Molecule make4x3CondensedRings()
public static Molecule makeSpiroRings()
public static Molecule makeBicycloRings()
public static Molecule makeFusedRings()
public static Molecule makeMethylDecaline()
public static Molecule makeEthylPropylPhenantren()
public static Molecule makeSteran()
public static Molecule makeAzulene()
public static Molecule makeIndole()
public static Molecule makePyrrole()
public static Molecule makePyrroleAnion()
public static Molecule makeImidazole()
public static Molecule makePyrazole()
public static Molecule make124Triazole()
public static Molecule make123Triazole()
public static Molecule makeTetrazole()
public static Molecule makeOxazole()
public static Molecule makeIsoxazole()
public static Molecule makeIsothiazole()
public static Molecule makeThiadiazole()
public static Molecule makeOxadiazole()
public static Molecule makePyridine()
public static Molecule makePyridineOxide()
public static Molecule makePyrimidine()
public static Molecule makePyridazine()
public static Molecule makeTriazine()
public static Molecule makeThiazole()
public static Molecule makeSingleRing()
public static Molecule makeDiamantane()
public static Molecule makeBranchedAliphatic()
public static Molecule makeBenzene()
public static Molecule makeQuinone()
public static Molecule makePiperidine()
public static Molecule makeTetrahydropyran()
public static IMolecule makeAdenine()