Package org.openmolecules.chem.conf.so

Class PlaneRule

java.lang.Object

org.openmolecules.chem.conf.so.ConformationRule

org.openmolecules.chem.conf.so.PlaneRule

public class PlaneRule
extends ConformationRule

Field Summary

Fields inherited from class org.openmolecules.chem.conf.so.ConformationRule

mAtom, mIsEnabled, RULE_NAME, RULE_TYPE_BINAP, RULE_TYPE_DISTANCE, RULE_TYPE_LINE, RULE_TYPE_PLANE, RULE_TYPE_STEREO, RULE_TYPE_TORSION

Constructor Summary

Constructors

Constructor	Description
PlaneRule(int[] atom, StereoMolecule mol)

Method Summary

Modifier and Type	Method	Description
double	addStrain(Conformer conformer, double[] atomStrain)
boolean	apply(Conformer conformer, double cycleFactor)
static void	calculateRules(java.util.ArrayList<ConformationRule> ruleList, StereoMolecule mol)
int	getRuleType()
java.lang.String	toString()

Methods inherited from class org.openmolecules.chem.conf.so.ConformationRule

addAtomList, getAtomList, isEnabled, moveAtomWithUnboundedNeighbors, moveGroup, moveSubstituent, rotateAtom, setEnabled

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, wait, wait, wait

Constructor Detail

PlaneRule

public PlaneRule(int[] atom,
                 StereoMolecule mol)

Method Detail

getRuleType

public int getRuleType()

Specified by:

getRuleType in class ConformationRule

calculateRules

public static void calculateRules(java.util.ArrayList<ConformationRule> ruleList,
                                  StereoMolecule mol)

apply

public boolean apply(Conformer conformer,
                     double cycleFactor)

Specified by:

apply in class ConformationRule

addStrain

public double addStrain(Conformer conformer,
                        double[] atomStrain)

Specified by:

addStrain in class ConformationRule

toString

public java.lang.String toString()

Specified by:

toString in class ConformationRule