public interface JmolJDXMOLParser
| Modifier and Type | Method and Description |
|---|---|
java.lang.String |
getAttribute(java.lang.String line,
java.lang.String tag) |
java.lang.String |
getRecord(java.lang.String key) |
javajs.util.Lst<java.lang.String[]> |
readACDAssignments(int nPoints,
boolean isPeakAssignment) |
java.lang.String |
readACDMolFile() |
boolean |
readModels() |
int |
readPeaks(boolean isSignals,
int peakCount) |
JmolJDXMOLParser |
set(JmolJDXMOLReader loader,
java.lang.String filePath,
java.util.Map<java.lang.String,java.lang.Object> htParams) |
int |
setACDAssignments(java.lang.String model,
java.lang.String mytype,
int peakCount,
javajs.util.Lst<java.lang.String[]> acdlist,
java.lang.String molFile) |
void |
setLine(java.lang.String s) |
JmolJDXMOLParser set(JmolJDXMOLReader loader, java.lang.String filePath, java.util.Map<java.lang.String,java.lang.Object> htParams)
java.lang.String getRecord(java.lang.String key)
throws java.lang.Exception
java.lang.Exceptionjava.lang.String getAttribute(java.lang.String line,
java.lang.String tag)
boolean readModels()
throws java.lang.Exception
java.lang.Exceptionint readPeaks(boolean isSignals,
int peakCount)
throws java.lang.Exception
java.lang.Exceptionvoid setLine(java.lang.String s)
java.lang.String readACDMolFile()
throws java.lang.Exception
java.lang.Exceptionjavajs.util.Lst<java.lang.String[]> readACDAssignments(int nPoints,
boolean isPeakAssignment)
throws java.lang.Exception
java.lang.Exceptionint setACDAssignments(java.lang.String model,
java.lang.String mytype,
int peakCount,
javajs.util.Lst<java.lang.String[]> acdlist,
java.lang.String molFile)
throws java.lang.Exception
java.lang.Exception