schrodinger.graphics3d.sphere module

Maestro 3D spheres.

The sphere module allows creation and drawing of spheres. Clients draw using Group instances not through Sphere instances.

Control over the center, radius, color, resolution and opacity of a sphere are provided. See the Sphere class for more info.

To draw any number of spheres, create the Sphere instance and add it to a Group instance. Then invoke the Group’s draw() method.

Copyright Schrodinger, LLC. All rights reserved.

class schrodinger.graphics3d.sphere.SphereCore(x=None, y=None, z=None, color=None, r=None, g=None, b=None, radius=None, transparency=None, opacity=1.0, resolution=16)

Bases: schrodinger.graphics3d.common.Primitive

Base class for Sphere and MaestroSphere classes.

See doc string for __init__ for details on instantiation.

Spheres should be added to a SphereGroup and drawing done via SphereGroup. See SphereGroup documentation.

__init__(x=None, y=None, z=None, color=None, r=None, g=None, b=None, radius=None, transparency=None, opacity=1.0, resolution=16)

Constructor requires:

x, y, z: coordinate specifying center of sphere in Angstroms.

color: One of:

Color object Color name (string) Tuble of (R, G, B) (each 0.0-1.0)

radius: radius of the sphere in Angstroms

Optional arguments:

opacity: 0.0 (transparent) through 1.0 (opaque)

Defaults to 1.0

resolution: 4 to 50

Defaults to 16

class schrodinger.graphics3d.sphere.MaestroSphere(x=None, y=None, z=None, color=None, r=None, g=None, b=None, radius=None, transparency=None, opacity=1.0, resolution=16, angle_dep_transparency=False)

Bases: schrodinger.graphics3d.common._MaestroPrimitiveMixin, schrodinger.graphics3d.sphere.SphereCore

Class to create a 3D sphere in Maestro. This sphere will be drawn at the appropriate time in Maestro to interact properly with transparent objects.

Spheres should be added to a Group and drawing done via the Group. See Group documentation.

API Example:

import schrodinger.maestro.maestro as maestro
import schrodinger.graphics3d.common as common
import schrodinger.graphics3d.sphere as sphere

sphere_grp = common.Group()
st = maestro.workspace_get()
for at in st.atom:
    sph = sphere.MaestroSphere(
        x=at.x,
        y=at.y,
        z=at.z,
        radius=1.0,
        resolution=20,
        opacity=0.8,
        color='red'
    )
    # Add the primative to the container.
    sphere_grp.add(sph)

# Unlike Sphere MaestroSphere simply needs to be shown to be drawn.
# No special callback like there is for Spheres is needed.
sphere_grp.show()

# Hide the markers.
sphere_grp.hide()

# Remove the markers and the callback.
sphere_grp.clear()
maestro.workspace_draw_function_remove(sphere_grp.draw)

__init__(x=None, y=None, z=None, color=None, r=None, g=None, b=None, radius=None, transparency=None, opacity=1.0, resolution=16, angle_dep_transparency=False)

Constructor requires:

x, y, z: coordinate specifying center of sphere in Angstroms.

color: One of:

Color object Color name (string) Tuple of (R, G, B) (each 0.0-1.0)

radius: radius of the sphere in Angstroms

Optional arguments:

opacity: 0.0 (transparent) through 1.0 (opaque)

Defaults to 1.0

resolution: 4 to 50

Defaults to 16

setCoords()

setXYZCoords(x, y, z)

property x

X coordinate

property y

Y coordinate

property z

Z coordinate

property radius

Sphere’s radius