def draw(self, rbcoords, index): from pele.systems._opengl_tools import draw_box from pele.systems.morse_bulk import put_in_box cc = self.aatopology.coords_adapter(rbcoords) put_in_box(cc.posRigid, self.boxvec) super(OTPBulk, self).draw(rbcoords, index, shift_com=False) draw_box(self.boxvec)
def draw(self, coordslinear, index): from pele.systems._opengl_tools import draw_atomic_binary_polydisperse, draw_box put_in_box(coordslinear, self.boxvec) draw_atomic_binary_polydisperse(coordslinear, index, bdim=self.boxvec.size, radii=self.radii) draw_box(self.boxvec)
def draw(self, coordslinear, index): """draw the frozen atoms differently from the mobile atoms""" from ._opengl_tools import draw_atoms, draw_box full_coords = self.coords_converter.get_full_coords(coordslinear) put_in_box(full_coords, self.boxvec) rA = 0.5 rB = 0.44 # draw A atoms if index == 1: cA = [0.65, 0.0, 0.0, 1.] cB = [0.25, 0.00, 0., 1.] cF = [0.24, 0.25, 0.25, 1.] else: cA = cB = cF = [0.00, 0.65, 0., 1.] draw_atoms(full_coords, self.mobile_Aatoms, radius=rA, color=cA) draw_atoms(full_coords, self.frozen_Aatoms, radius=rA, color=cF) draw_atoms(full_coords, self.mobile_Batoms, radius=rB, color=cB) draw_atoms(full_coords, self.frozen_Batoms, radius=rB, color=cF) draw_box(self.boxvec)
def draw(self, coordslinear, index): from pele.systems._opengl_tools import draw_box put_in_box(coordslinear, self.boxvec) BLJCluster.draw(self, coordslinear, index, subtract_com=False) draw_box(self.boxvec)