Ejemplo n.º 1
0
    def __init__(self, j=None, grid=None):
        """
        Constructor for densfresults.
        """
        adfresults.__init__(self, j)

        if j is not None:
            if grid is not None:
                raise PyAdfError('grid must not be passed if adfres is present')
            self.grid = self.job.grid
            self.prop = self.job.prop
            self._values = None
        elif grid is not None:
            import numpy
            self.grid = grid
            self.prop = None
            self._values = numpy.zeros((self.grid.npoints,))
        else:
            self.job = None
            self.files = None
            self.grid = None
            self.prop = None
            self._values = None
Ejemplo n.º 2
0
 def __init__(self, j=None):
     """
     Consructor for adfcplresults.
     """
     adfresults.__init__(self, j)
Ejemplo n.º 3
0
 def __init__(self, j=None):
     """
     Constructur for adfnmrresults.
     """
     adfresults.__init__(self, j)