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 pele.systems._opengl_tools import draw_atomic_single_atomtype
# radius = self.potential_kwargs["d"] / 4
radius = 1.
draw_atomic_single_atomtype(coordslinear, index, subtract_com=True,
radius=radius)
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 pele.systems._opengl_tools import draw_atomic_single_atomtype
# radius = self.potential_kwargs["d"] / 4
radius = 1.
draw_atomic_single_atomtype(coordslinear,
index,
subtract_com=True,
radius=radius)
def draw(self, coordslinear, index):
"""draw the frozen atoms differently from the mobile atoms"""
from pele.systems._opengl_tools import draw_atomic_single_atomtype
full_coords = self.coords_converter.get_full_coords(coordslinear)
draw_atomic_single_atomtype(full_coords, index, subtract_com=False)
def draw(self, coordslinear, index):
"""draw the frozen atoms differently from the mobile atoms"""
from pele.systems._opengl_tools import draw_atomic_single_atomtype
full_coords = self.coords_converter.get_full_coords(coordslinear)
draw_atomic_single_atomtype(full_coords, index, subtract_com=False)
