Skip to content

Commit

Permalink
Update libmsym.py
Browse files Browse the repository at this point in the history
  • Loading branch information
rfkspada committed May 14, 2020
1 parent c994703 commit d07af56
Showing 1 changed file with 12 additions and 0 deletions.
12 changes: 12 additions & 0 deletions bindings/python/libmsym/libmsym.py
Original file line number Diff line number Diff line change
Expand Up @@ -365,6 +365,9 @@ def init(library_location=None):

_lib.msymSymmetrizeElements.restype = _ReturnCode
_lib.msymSymmetrizeElements.argtypes = [_Context]

_lib.msymAlignAxes.restype = _ReturnCode
_lib.msymAlignAxes.argtypes = [_Context]

_lib.msymSetBasisFunctions.restype = _ReturnCode
_lib.msymSetBasisFunctions.argtypes = [_Context, c_int, POINTER(BasisFunction)]
Expand Down Expand Up @@ -610,6 +613,15 @@ def symmetrize_elements(self):
self._assert_success(_lib.msymSymmetrizeElements(self._ctx, byref(cerror)))
self._update_elements()
return self._elements

def align_axes(self):
if not self._ctx:
raise RuntimeError
cerror = c_double(0)
self._assert_success(_lib.msymAlignAxes(self._ctx))
self._update_elements()
return self._elements


@property
def subrepresentation_spaces(self):
Expand Down

0 comments on commit d07af56

Please sign in to comment.