MoleculeFactory (cdk 2.5 API)

java.lang.Object
- org.openscience.cdk.templates.MoleculeFactory

Deprecated.
Old CDK class primarily for testing, for CDK Tests please use TestMoleculeFactory in cdk-data (testjar).
```
@Deprecated
public class MoleculeFactory
extends Object
```
This class contains methods for generating simple organic molecules.

Source code:
master

Keywords:

templates

Constructor Summary

Constructors
Constructor and Description

MoleculeFactory()
Deprecated.

Constructors
Constructor and Description
`MoleculeFactory()` Deprecated.

Method Summary

All Methods Static Methods Concrete Methods Deprecated Methods
Modifier and Type	Method and Description
`static IAtomContainer`	`loadMolecule(String inFile)` Deprecated.
`static IAtomContainer`	`make123Triazole()` Deprecated. Returns 1,2,3-triazole without explicit hydrogens.
`static IAtomContainer`	`make124Triazole()` Deprecated. Returns 1,2,4-triazole without explicit hydrogens.
`static IAtomContainer`	`make4x3CondensedRings()` Deprecated.
`static IAtomContainer`	`makeAdenine()` Deprecated.
`static IAtomContainer`	`makeAlkane(int chainLength)` Deprecated. Generate an Alkane (chain of carbons with no hydrogens) of a given length.
`static IAtomContainer`	`makeAlphaPinene()` Deprecated.
`static IAtomContainer`	`makeAzulene()` Deprecated. Returns azulene without explicit hydrogens.
`static IAtomContainer`	`makeBenzene()` Deprecated.
`static IAtomContainer`	`makeBicycloRings()` Deprecated.
`static IAtomContainer`	`makeBiphenyl()` Deprecated. Returns biphenyl without explicit hydrogens.
`static IAtomContainer`	`makeBranchedAliphatic()` Deprecated.
`static IAtomContainer`	`makeCyclobutadiene()` Deprecated. Returns cyclobutadiene without explicit hydrogens.
`static IAtomContainer`	`makeCyclobutane()` Deprecated. Returns cyclobutane without explicit hydrogens.
`static IAtomContainer`	`makeCyclohexane()` Deprecated. Returns cyclohexane without explicit hydrogens.
`static IAtomContainer`	`makeCyclohexene()` Deprecated. Returns cyclohexene without explicit hydrogens.
`static IAtomContainer`	`makeCyclopentane()` Deprecated. Returns cyclopentane without explicit hydrogens.
`static IAtomContainer`	`makeDiamantane()` Deprecated.
`static IAtomContainer`	`makeEthylCyclohexane()` Deprecated.
`static IAtomContainer`	`makeEthylPropylPhenantren()` Deprecated.
`static IAtomContainer`	`makeFusedRings()` Deprecated.
`static IAtomContainer`	`makeImidazole()` Deprecated. Returns imidazole without explicit hydrogens.
`static IAtomContainer`	`makeIndole()` Deprecated. Returns indole without explicit hydrogens.
`static IAtomContainer`	`makeIsothiazole()` Deprecated. Returns isothiazole without explicit hydrogens.
`static IAtomContainer`	`makeIsoxazole()` Deprecated. Returns Isoxazole without explicit hydrogens.
`static IAtomContainer`	`makeMethylDecaline()` Deprecated.
`static IAtomContainer`	`makeOxadiazole()` Deprecated. Returns oxadiazole without explicit hydrogens.
`static IAtomContainer`	`makeOxazole()` Deprecated. Returns Oxazole without explicit hydrogens.
`static IAtomContainer`	`makePhenylAmine()` Deprecated.
`static IAtomContainer`	`makePhenylEthylBenzene()` Deprecated.
`static IAtomContainer`	`makePiperidine()` Deprecated.
`static IAtomContainer`	`makePropylCycloPropane()` Deprecated.
`static IAtomContainer`	`makePyrazole()` Deprecated. Returns pyrazole without explicit hydrogens.
`static IAtomContainer`	`makePyridazine()` Deprecated. Returns pyridazine without explicit hydrogens.
`static IAtomContainer`	`makePyridine()` Deprecated. Returns pyridine without explicit hydrogens.
`static IAtomContainer`	`makePyridineOxide()` Deprecated. Returns pyridine oxide without explicit hydrogens.
`static IAtomContainer`	`makePyrimidine()` Deprecated. Returns pyrimidine without explicit hydrogens.
`static IAtomContainer`	`makePyrrole()` Deprecated. Returns pyrrole without explicit hydrogens.
`static IAtomContainer`	`makePyrroleAnion()` Deprecated. Returns pyrrole anion without explicit hydrogens.
`static IAtomContainer`	`makeQuinone()` Deprecated.
`static IAtomContainer`	`makeSingleRing()` Deprecated.
`static IAtomContainer`	`makeSpiroRings()` Deprecated.
`static IAtomContainer`	`makeSteran()` Deprecated.
`static IAtomContainer`	`makeTetrahydropyran()` Deprecated.
`static IAtomContainer`	`makeTetrazole()` Deprecated. Returns tetrazole without explicit hydrogens.
`static IAtomContainer`	`makeThiadiazole()` Deprecated. Returns thiadiazole without explicit hydrogens.
`static IAtomContainer`	`makeThiazole()` Deprecated. Returns thiazole without explicit hydrogens.
`static IAtomContainer`	`makeTriazine()` Deprecated. Returns triazine without explicit hydrogens.

Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

- Constructor Detail
  - MoleculeFactory
```
public MoleculeFactory()
```
    Deprecated.
- Method Detail
  - makeAlphaPinene
```
public static IAtomContainer makeAlphaPinene()
```
    Deprecated.
  - makeAlkane
```
public static IAtomContainer makeAlkane(int chainLength)
```
    Deprecated.
    
    Generate an Alkane (chain of carbons with no hydrogens) of a given length.
    This method was written by Stephen Tomkinson.
    
    Parameters:
    
    chainLength - The number of carbon atoms to have in the chain.
    
    Returns:
    
    A molecule containing a bonded chain of carbons.
    
    Created on:
    
    2003-08-15
  - makeEthylCyclohexane
```
public static IAtomContainer makeEthylCyclohexane()
```
    Deprecated.
  - makeCyclohexene
```
public static IAtomContainer makeCyclohexene()
```
    Deprecated.
    
    Returns cyclohexene without explicit hydrogens.
    
    InChI(s):
    InChI=1/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2
  - makeCyclohexane
```
public static IAtomContainer makeCyclohexane()
```
    Deprecated.
    
    Returns cyclohexane without explicit hydrogens.
    
    InChI(s):
    InChI=1/C6H12/c1-2-4-6-5-3-1/h1-6H2
  - makeCyclopentane
```
public static IAtomContainer makeCyclopentane()
```
    Deprecated.
    
    Returns cyclopentane without explicit hydrogens.
    
    InChI(s):
    InChI=1/C5H10/c1-2-4-5-3-1/h1-5H2
  - makeCyclobutane
```
public static IAtomContainer makeCyclobutane()
```
    Deprecated.
    
    Returns cyclobutane without explicit hydrogens.
    
    InChI(s):
    InChI=1/C4H8/c1-2-4-3-1/h1-4H2
  - makeCyclobutadiene
```
public static IAtomContainer makeCyclobutadiene()
```
    Deprecated.
    
    Returns cyclobutadiene without explicit hydrogens.
    
    InChI(s):
    InChI=1/C4H4/c1-2-4-3-1/h1-4H
  - makePropylCycloPropane
```
public static IAtomContainer makePropylCycloPropane()
```
    Deprecated.
  - makeBiphenyl
```
public static IAtomContainer makeBiphenyl()
```
    Deprecated.
    
    Returns biphenyl without explicit hydrogens.
    
    InChI(s):
    InChI=1/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H
  - makePhenylEthylBenzene
```
public static IAtomContainer makePhenylEthylBenzene()
```
    Deprecated.
  - makePhenylAmine
```
public static IAtomContainer makePhenylAmine()
```
    Deprecated.
  - make4x3CondensedRings
```
public static IAtomContainer make4x3CondensedRings()
```
    Deprecated.
  - makeSpiroRings
```
public static IAtomContainer makeSpiroRings()
```
    Deprecated.
  - makeBicycloRings
```
public static IAtomContainer makeBicycloRings()
```
    Deprecated.
  - makeFusedRings
```
public static IAtomContainer makeFusedRings()
```
    Deprecated.
  - makeMethylDecaline
```
public static IAtomContainer makeMethylDecaline()
```
    Deprecated.
  - makeEthylPropylPhenantren
```
public static IAtomContainer makeEthylPropylPhenantren()
```
    Deprecated.
  - makeSteran
```
public static IAtomContainer makeSteran()
```
    Deprecated.
  - makeAzulene
```
public static IAtomContainer makeAzulene()
```
    Deprecated.
    
    Returns azulene without explicit hydrogens.
    
    InChI(s):
    InChI=1/C10H8/c1-2-5-9-7-4-8-10(9)6-3-1/h1-8H
  - makeIndole
```
public static IAtomContainer makeIndole()
```
    Deprecated.
    
    Returns indole without explicit hydrogens.
    
    InChI(s):
    InChI=1/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
  - makePyrrole
```
public static IAtomContainer makePyrrole()
```
    Deprecated.
    
    Returns pyrrole without explicit hydrogens.
    
    InChI(s):
    InChI=1/C4H5N/c1-2-4-5-3-1/h1-5H
  - makePyrroleAnion
```
public static IAtomContainer makePyrroleAnion()
```
    Deprecated.
    
    Returns pyrrole anion without explicit hydrogens.
    
    InChI(s):
    InChI=1/C4H4N/c1-2-4-5-3-1/h1-4H/q-1
  - makeImidazole
```
public static IAtomContainer makeImidazole()
```
    Deprecated.
    
    Returns imidazole without explicit hydrogens.
    
    InChI(s):
    InChI=1/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)/f/h4H
  - makePyrazole
```
public static IAtomContainer makePyrazole()
```
    Deprecated.
    
    Returns pyrazole without explicit hydrogens.
    
    InChI(s):
    InChI=1/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)/f/h4H
  - make124Triazole
```
public static IAtomContainer make124Triazole()
```
    Deprecated.
    
    Returns 1,2,4-triazole without explicit hydrogens.
    
    InChI(s):
    InChI=1/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)/f/h4H
  - make123Triazole
```
public static IAtomContainer make123Triazole()
```
    Deprecated.
    
    Returns 1,2,3-triazole without explicit hydrogens.
    
    InChI(s):
    InChI=1/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)/f/h5H
  - makeTetrazole
```
public static IAtomContainer makeTetrazole()
```
    Deprecated.
    
    Returns tetrazole without explicit hydrogens.
    
    InChI(s):
    InChI=1/CH2N4/c1-2-4-5-3-1/h1H,(H,2,3,4,5)/f/h4H
  - makeOxazole
```
public static IAtomContainer makeOxazole()
```
    Deprecated.
    
    Returns Oxazole without explicit hydrogens.
    
    InChI(s):
    InChI=1/C3H3NO/c1-2-5-3-4-1/h1-3H
  - makeIsoxazole
```
public static IAtomContainer makeIsoxazole()
```
    Deprecated.
    
    Returns Isoxazole without explicit hydrogens.
    
    InChI(s):
    InChI=1/C3H3NO/c1-2-4-5-3-1/h1-3H
  - makeIsothiazole
```
public static IAtomContainer makeIsothiazole()
```
    Deprecated.
    
    Returns isothiazole without explicit hydrogens.
    
    InChI(s):
    InChI=1/C3H3NS/c1-2-4-5-3-1/h1-3H
  - makeThiadiazole
```
public static IAtomContainer makeThiadiazole()
```
    Deprecated.
    
    Returns thiadiazole without explicit hydrogens.
    
    InChI(s):
    InChI=1/C2H2N2S/c1-3-4-2-5-1/h1-2H
  - makeOxadiazole
```
public static IAtomContainer makeOxadiazole()
```
    Deprecated.
    
    Returns oxadiazole without explicit hydrogens.
    
    InChI(s):
    InChI=1/C2H2N2O/c1-3-4-2-5-1/h1-2H
  - makePyridine
```
public static IAtomContainer makePyridine()
```
    Deprecated.
    
    Returns pyridine without explicit hydrogens.
    
    InChI(s):
    InChI=1/C3H3NO/c1-2-4-5-3-1/h1-3H
  - makePyridineOxide
```
public static IAtomContainer makePyridineOxide()
```
    Deprecated.
    
    Returns pyridine oxide without explicit hydrogens.
    
    InChI(s):
    InChI=1/C5H5NO/c7-6-4-2-1-3-5-6/h1-5H
  - makePyrimidine
```
public static IAtomContainer makePyrimidine()
```
    Deprecated.
    
    Returns pyrimidine without explicit hydrogens.
    
    InChI(s):
    InChI=1/C4H4N2/c1-2-5-4-6-3-1/h1-4H
  - makePyridazine
```
public static IAtomContainer makePyridazine()
```
    Deprecated.
    
    Returns pyridazine without explicit hydrogens.
    
    InChI(s):
    InChI=1/C4H4N2/c1-2-4-6-5-3-1/h1-4H
  - makeTriazine
```
public static IAtomContainer makeTriazine()
```
    Deprecated.
    
    Returns triazine without explicit hydrogens.
    
    InChI(s):
    InChI=1/C4H4N2/c1-2-4-6-5-3-1/h1-4H
  - makeThiazole
```
public static IAtomContainer makeThiazole()
```
    Deprecated.
    
    Returns thiazole without explicit hydrogens.
    
    InChI(s):
    InChI=1/C3H3NS/c1-2-5-3-4-1/h1-3H
  - makeSingleRing
```
public static IAtomContainer makeSingleRing()
```
    Deprecated.
  - makeDiamantane
```
public static IAtomContainer makeDiamantane()
```
    Deprecated.
  - makeBranchedAliphatic
```
public static IAtomContainer makeBranchedAliphatic()
```
    Deprecated.
  - makeBenzene
```
public static IAtomContainer makeBenzene()
```
    Deprecated.
  - makeQuinone
```
public static IAtomContainer makeQuinone()
```
    Deprecated.
  - makePiperidine
```
public static IAtomContainer makePiperidine()
```
    Deprecated.
  - makeTetrahydropyran
```
public static IAtomContainer makeTetrahydropyran()
```
    Deprecated.
  - loadMolecule
```
public static IAtomContainer loadMolecule(String inFile)
```
    Deprecated.
  - makeAdenine
```
public static IAtomContainer makeAdenine()
```
    Deprecated.
    
    InChI(s):
    InChI=1/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)/f/h7H,6H2

Class MoleculeFactory

Constructor Summary

Method Summary

Methods inherited from class java.lang.Object

Constructor Detail

MoleculeFactory

Method Detail

makeAlphaPinene

makeAlkane

makeEthylCyclohexane

makeCyclohexene

makeCyclohexane

makeCyclopentane

makeCyclobutane

makeCyclobutadiene

makePropylCycloPropane

makeBiphenyl

makePhenylEthylBenzene

makePhenylAmine

make4x3CondensedRings

makeSpiroRings

makeBicycloRings

makeFusedRings

makeMethylDecaline

makeEthylPropylPhenantren

makeSteran

makeAzulene

makeIndole

makePyrrole

makePyrroleAnion

makeImidazole

makePyrazole

make124Triazole

make123Triazole

makeTetrazole

makeOxazole

makeIsoxazole

makeIsothiazole

makeThiadiazole

makeOxadiazole

makePyridine

makePyridineOxide

makePyrimidine

makePyridazine

makeTriazine

makeThiazole

makeSingleRing

makeDiamantane

makeBranchedAliphatic

makeBenzene

makeQuinone

makePiperidine

makeTetrahydropyran

loadMolecule

makeAdenine