예제 #1
0
 def draw(self, coordslinear, index):
     """draw the frozen atoms differently from the mobile atoms"""
     from _opengl_tools import draw_atomic_binary
     full_coords = self.coords_converter.get_full_coords(coordslinear)
     draw_atomic_binary(full_coords, index, self.mobile_atoms, 
                        self.frozen_atoms, subtract_com=False, rA=0.5, 
                        rB=0.5)
예제 #2
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    def draw(self, coordslinear, index):
        """draw the frozen atoms differently from the mobile atoms"""
        from _opengl_tools import draw_atomic_binary

        full_coords = self.coords_converter.get_full_coords(coordslinear)
        draw_atomic_binary(full_coords, index, self.mobile_atoms,
                           self.frozen_atoms, subtract_com=False, rA=0.5,
                           rB=0.5)
예제 #3
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 def draw(self, coordslinear, index):
     """
     tell the gui how to represent your system using openGL objects
     
     Parameters
     ----------
     coords : array
     index : int
         we can have more than one molecule on the screen at one time.  index tells
         which one to draw.  They are viewed at the same time, so they should be
         visually distinct, e.g. different colors.  accepted values are 1 or 2        
     """
     from _opengl_tools import draw_atomic_binary
     draw_atomic_binary(coordslinear, index, range(self.ntypeA), 
                        range(self.ntypeA, self.natoms), subtract_com=True)
예제 #4
0
파일: bljcluster.py 프로젝트: cjforman/pele
    def draw(self, coordslinear, index):  # pragma: no cover
        """
        tell the gui how to represent your system using openGL objects
        
        Parameters
        ----------
        coords : array
        index : int
            we can have more than one molecule on the screen at one time.  index tells
            which one to draw.  They are viewed at the same time, so they should be
            visually distinct, e.g. different colors.  accepted values are 1 or 2        
        """
        from _opengl_tools import draw_atomic_binary

        draw_atomic_binary(coordslinear,
                           index,
                           range(self.ntypeA),
                           range(self.ntypeA, self.natoms),
                           subtract_com=True)