public interface MinimizerInterface
Modifier and Type | Method and Description |
---|---|
void |
calculatePartialCharges(Bond[] bonds,
int bondCount,
Atom[] atoms,
BS bsAtoms) |
void |
endMinimization() |
java.lang.Object |
getProperty(java.lang.String propertyName,
int param) |
JmolThread |
getThread() |
boolean |
minimizationOn() |
boolean |
minimize(int steps,
double crit,
BS bsSelected,
BS bsFixed,
boolean haveFixed,
boolean isSilent,
java.lang.String ff) |
MinimizerInterface |
setProperty(java.lang.String propertyName,
java.lang.Object propertyValue) |
boolean |
startMinimization() |
boolean |
stepMinimization() |
boolean minimize(int steps, double crit, BS bsSelected, BS bsFixed, boolean haveFixed, boolean isSilent, java.lang.String ff) throws java.lang.Exception
java.lang.Exception
MinimizerInterface setProperty(java.lang.String propertyName, java.lang.Object propertyValue)
java.lang.Object getProperty(java.lang.String propertyName, int param)
void calculatePartialCharges(Bond[] bonds, int bondCount, Atom[] atoms, BS bsAtoms) throws JmolAsyncException
JmolAsyncException
boolean startMinimization()
boolean stepMinimization()
void endMinimization()
boolean minimizationOn()
JmolThread getThread()