OBJEKT AMBER_loadPrep(char *file_prep)
{
DICTIONARY dUnits;
DICTLOOP dlLoop ;
UNIT uUnit = NULL;
STRING sName;
LOOP lResidues;
RESIDUE rRes;
/* Read an AMBER PREP file into a dictionary.*/
dUnits = dAmberReadPrepFile(file_prep);
if ( dUnits != NULL )
{
dlLoop = ydlDictionaryLoop( dUnits );
uUnit=(UNIT)yPDictionaryNext( dUnits, &dlLoop );
strcpy( sName, sContainerName((CONTAINER) uUnit) );
PrintInfo(( "Loaded UNIT: %s", sName ));
/* Set the name for the UNIT */
ContainerSetName( (CONTAINER) uUnit, sName );
/* Set the name for the only residue in the unit */
lResidues = lLoop( (OBJEKT)uUnit, RESIDUES );
rRes = (RESIDUE)oNext(&lResidues);
ContainerSetName( (CONTAINER) rRes, sName );
VariableSet( sName, (OBJEKT) uUnit ); /* adds 1 REF */
return((OBJEKT)uUnit);
}
if (uUnit == NULL)
PrintError( ("-- no UNIT loaded \n"));
return(NULL);
}
/*
* DictionaryDescribe
*
* Author: Christian Schafmeister (1991)
*
* Describe the DICTIONARY.
*/
void
DictionaryDescribe( DICTIONARY dDict )
{
DICTLOOP dlLoop;
VP0(( "Dictionary with %d elements.\n",
iDictionaryElementCount(dDict) ));
dlLoop = ydlDictionaryLoop(dDict);
while ( yPDictionaryNext( dDict, &dlLoop ) ) {
VP0(( "%40s = %lX\n",
sDictLoopKey(dlLoop),
PDictLoopData(dlLoop) ));
}
}
OBJEKT AMBER_loadPrep(char*file_prep)
{
/* version of function oCmd_loadAmberPrep */
DICTIONARY dUnits;
DICTLOOP dlLoop ;
UNIT uUnit = NULL;
STRING sName;
LOOP lResidues;
RESIDUE rRes;
/* Read an AMBER PREP file into a dictionary.*/
dUnits = dAmberReadPrepFile(file_prep);
if ( dUnits != NULL ) {
dlLoop = ydlDictionaryLoop( dUnits );
/* for move3d version only one UNIT with one residue loaded */
uUnit=(UNIT)yPDictionaryNext( dUnits, &dlLoop );
strcpy( sName, sContainerName((CONTAINER) uUnit) );
printf( "Loaded UNIT: %s\n", sName );
/* Set the name for the UNIT */
ContainerSetName( (CONTAINER) uUnit, sName );
/* Set the name for the only residue in the unit */
lResidues = lLoop( (OBJEKT)uUnit, RESIDUES );
rRes = (RESIDUE)oNext(&lResidues);
ContainerSetName( (CONTAINER) rRes, sName );
VariableSet( (char*)sName, (OBJEKT) uUnit ); /* adds 1 REF */
if (uUnit != NULL)
return((OBJEKT)uUnit);
else{
printf ("-- no UNIT loaded \n");
return(NULL);
}
}
else
return(NULL);
}