Example #1
0
 def __init__(self, filename, quality, parent=None, name=None):
     QGLWidget.__init__(self, parent, name)
     # load molecule and read from xyz file
     self.mol = Molecule()
     self.mol.readxyz(filename)
     self.mol.genbonds()
     # adjust quality to sanity
     # set display quality
     if self.mol.natoms > 10000:
         self.quality = min(2, quality)
     else:
         self.quality = quality
     print(quality)
     self.atom_size = 0.4
     self.bond_size = 0.1
     self.offset = -self.mol.box[0] - self.mol.box[1]
     # set initial coordinates
     self.x, self.y = self.lastx, self.lasty = [0, 0]