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 |
|
} |