def _init_read_free(self):
# subverted... interpret self.filename as a numpy array
try:
FEC = self.filename # FreeEnergyContainer?
F = FEC.F
except AttributeError:
super(DerivedFreeEnergy,self)._init_read_free()
return
self._midpoints = (FEC.X, FEC.Y)
self._X = FEC.X
self._Y = FEC.Y
self._free_energy = numpy.ma.array(F, mask=numpy.logical_not(numpy.isfinite(F)),
fill_value=1000);
# reconstruct what input histogram2d would need
self._edges = (self._mid2edges(self._X), # NMP bin edges
self._mid2edges(self._Y)) # LID bin edges
评论列表
文章目录