|
|||||||||
PREV CLASS NEXT CLASS | FRAMES NO FRAMES | ||||||||
SUMMARY: NESTED | FIELD | CONSTR | METHOD | DETAIL: FIELD | CONSTR | METHOD |
java.lang.Objectorg.jmol.adapter.smarter.AtomSetCollectionReader
org.jmol.adapter.readers.xtal.DmolReader
public class DmolReader
Field Summary | |
---|---|
private boolean |
geomOpt
|
private java.lang.Double |
totE
|
private float[] |
unitCellData
|
Constructor Summary | |
---|---|
DmolReader()
|
Method Summary | |
---|---|
protected boolean |
checkLine()
|
private void |
newAtomSet()
|
private void |
readCellParam()
|
private void |
readCoord()
|
private void |
readEnergy()
|
private void |
readFreq()
|
private void |
setEnergy()
|
Methods inherited from class java.lang.Object |
---|
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait |
Field Detail |
---|
private float[] unitCellData
private java.lang.Double totE
private boolean geomOpt
Constructor Detail |
---|
public DmolReader()
Method Detail |
---|
protected boolean checkLine() throws java.lang.Exception
checkLine
in class AtomSetCollectionReader
java.lang.Exception
private void readCellParam() throws java.lang.Exception
java.lang.Exception
private void newAtomSet() throws java.lang.Exception
java.lang.Exception
private void readCoord() throws java.lang.Exception
java.lang.Exception
private void readEnergy() throws java.lang.Exception
java.lang.Exception
private void setEnergy()
private void readFreq() throws java.lang.Exception
java.lang.Exception
|
|||||||||
PREV CLASS NEXT CLASS | FRAMES NO FRAMES | ||||||||
SUMMARY: NESTED | FIELD | CONSTR | METHOD | DETAIL: FIELD | CONSTR | METHOD |