[ViewVC] Diff of: group/trunk/OOPSE/libmdtools/DirectionalAtom.cpp

Comparing trunk/OOPSE/libmdtools/DirectionalAtom.cpp (file contents):
Revision 1097 by gezelter, Mon Apr 12 20:32:20 2004 UTC vs.
Revision 1187 by chrisfen, Sat May 22 18:16:18 2004 UTC

#	Line 35 \| Line 35 \| void DirectionalAtom::setCoords(void){
35		&trq,
36		&Amat,
37		&mu,
38	<	&ul );
38	>	&ul);
39		}
40		else{
41		sprintf( painCave.errMsg,
#	Line 583 \| Line 583 \| void DirectionalAtom::getEulerAngles(double myEuler[3]
583		myEuler[2] = psi;
584
585		return;
586	+	}
587	+
588	+	double DirectionalAtom::getZangle( ){
589	+
590	+	if( hasCoords ){
591	+	return zAngle;
592	+	}
593	+	else{
594	+
595	+	sprintf( painCave.errMsg,
596	+	"Attempt to get zAngle for atom %d before coords set.\n",
597	+	index );
598	+	painCave.isFatal = 1;
599	+	simError();
600	+	return 0;
601	+	}
602	+	}
603	+
604	+	void DirectionalAtom::setZangle( double zAng ){
605	+
606	+	if( hasCoords ){
607	+	zAngle = zAng;
608	+	}
609	+	else{
610	+
611	+	sprintf( painCave.errMsg,
612	+	"Attempt to set zAngle for atom %d before coords set.\n",
613	+	index );
614	+	painCave.isFatal = 1;
615	+	simError();
616	+	}
617		}
618
619	+	void DirectionalAtom::addZangle( double zAng ){
620	+
621	+	if( hasCoords ){
622	+	zAngle += zAng;
623	+	}
624	+	else{
625	+
626	+	sprintf( painCave.errMsg,
627	+	"Attempt to add zAngle to atom %d before coords set.\n",
628	+	index );
629	+	painCave.isFatal = 1;
630	+	simError();
631	+	}
632	+	}
633	+
634		double DirectionalAtom::max(double x, double y) {
635		return (x > y) ? x : y;
636		}

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