|
|
tetraPos
|
tetraPos (
bondee,
bonded,
bondLen,
toward=None,
away=None,
toward2=None,
away2=None,
)
|
|
|
planarPos
|
planarPos (
bondee,
bonded,
bondLen,
coPlanar=None,
toward=None,
away=None,
toward2=None,
away2=None,
)
|
|
|
rightAngle
|
rightAngle ( orig )
|
|
|
linearPos
|
linearPos (
bondee,
bonded,
bondLen,
toward=None,
away=None,
)
|
|
|
bondPositions
|
bondPositions (
bondee,
geom,
bondLen,
bonded,
coPlanar=None,
toward=None,
away=None,
toward2=None,
away2=None,
)
|
Exceptions
|
|
|
ValueError, "Unknown geometry type '%s'" % geom
ValueError, "Cannot specify both toward and away," " or both toward2 and away2"
|
|
|
|
anglePos
|
anglePos (
atomPos,
bondPos,
bondLength,
degrees,
coplanar=None,
)
|
Exceptions
|
|
|
ValueError, "More than 2 coplanar positions specified!"
|
|
|
|
singlePos
|
singlePos (
bondee,
bondLen,
toward=None,
away=None,
)
|
|