rouding should affect color calculation

avoid NaN in math.power(x,0.5). math.power(-0.0,0.5) is ok
This commit is contained in:
Martin Diehl 2019-10-21 22:44:12 +02:00
parent 78a2941436
commit ecc51e34d3
1 changed files with 6 additions and 6 deletions

View File

@ -701,15 +701,15 @@ class Symmetry:
v = np.array(vector,dtype=float)
if proper: # check both improper ...
theComponents = np.dot(basis['improper'],v)
inSST = np.all(np.around(theComponents,12) >= 0.0)
theComponents = np.around(np.dot(basis['improper'],v),12)
inSST = np.all(theComponents >= 0.0)
if not inSST: # ... and proper SST
theComponents = np.dot(basis['proper'],v)
inSST = np.all(np.around(theComponents,12) >= 0.0)
theComponents = np.around(np.dot(basis['proper'],v),12)
inSST = np.all(theComponents >= 0.0)
else:
v[2] = abs(v[2]) # z component projects identical
theComponents = np.dot(basis['improper'],v) # for positive and negative values
inSST = np.all(np.around(theComponents,12) >= 0.0)
theComponents = np.around(np.dot(basis['improper'],v),12) # for positive and negative values
inSST = np.all(theComponents >= 0.0)
if color: # have to return color array
if inSST: