/*
* bXAUERelaxCallback
*
* Author: Christian Schafmeister (1991)
*
* Callback to redisplay the UNIT every step of a minimization.
* Return TRUE to indicate that the minimization should continue.
*/
static BOOL
bXAUERelaxCallback( Widget wTank )
{
XEvent xeEvent;
BOOL bContinue;
/* Redisplay the UNIT in the TANK */
TankFastRedisplayUnit((TANK) wTank );
/* If there is an event pending then handle it */
bContinue = TRUE;
while ( XtAppPending( SxtacApp ) ) {
MESSAGE(( "There is an event pending\n" ));
XtAppNextEvent( SxtacApp, &xeEvent );
if ( bBasicsInterrupt() ) {
bContinue = FALSE;
BasicsResetInterrupt();
}
XtDispatchEvent( &xeEvent );
}
return(bContinue);
}
/*
* ResidueDescribe
*
* Author: Christian Schafmeister (1991)
*
* Call the specific routine for the class to print a description
* of the RESIDUE to the file fOut.
*
* Arguments:
* oObject - The object to describe.
*
*/
void
ResidueDescribe( RESIDUE rResidue )
{
int i;
LOOP lContents;
OBJEKT oObj;
STRING sTemp;
VP0(( "RESIDUE name: %s\n", rResidue->cHeader.sName ));
if ( bResidueFlagsSet( rResidue, RESIDUEUNKNOWN ) )
VP0(( "!!!This is an unknown residue!\n" ));
VP0(( "RESIDUE sequence number: %d\n",
iContainerSequence(rResidue) ));
VP0(( "RESIDUE PDB sequence number: %d\n",
iResiduePdbSequence(rResidue) ));
VP0(( "Type: %s\n",
sResidueTypeNameFromChar(cResidueType(rResidue)) ));
if ( cResidueType(rResidue) == RESTYPESOLVENT ) {
VP0(( "Solvent imaging atom: " ));
if ( aResidueImagingAtom(rResidue) == NULL ) {
VP0(( "None.\n" ));
} else {
VP0(( "%s\n",
sContainerDescriptor((CONTAINER)aResidueImagingAtom(rResidue),sTemp) ));
}
}
VP0(( "Connection atoms:\n" ));
for ( i=0; i<MAXCONNECT; i++ ) {
if ( bResidueConnectUsed(rResidue,i) ) {
VP0(( " Connect atom %d: %s\n", i,
sContainerDescriptor( (CONTAINER)rResidue->aaConnect[i], sTemp ) ));
}
}
if ( rResidue->vaImpropers ) {
VP0(( "No improper torsions\n" ));
} else {
VP0(( "Improper torsions:\n" ));
}
BasicsResetInterrupt();
VP0(( "Contents: \n" ));
lContents = lLoop( (OBJEKT)rResidue, DIRECTCONTENTS );
while ( oObj = oNext(&lContents ) ) {
VP0(( "%s\n", sContainerDescriptor( (CONTAINER)oObj, sTemp ) ));
if ( bBasicsInterrupt() ) {
BasicsResetInterrupt();
VP0(( "Interrupted\n" ));
break;
}
}
}