schrodinger.graphics3d.torus module¶

Maestro 3D toruses.

The torus module allows creation and drawing of toruses. Clients draw using Group instances not through Torus instances.

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

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

schrodinger.graphics3d.torus.vector_cross(X, Y)¶: Returns the cross product of the len 3 vectors X and Y

class schrodinger.graphics3d.torus.TorusCore(x0=None, y0=None, z0=None, x1=None, y1=None, z1=None, color=None, r=None, g=None, b=None, radius=None, tube_radius=None, transparency=None, opacity=1.0, resolution_u=5, resolution_v=3)¶

Bases: schrodinger.graphics3d.common.Primitive

Base class for MaestroTorus.

See doc string for __init__ for details on instantiation.

Toruses should be added to a TorusGroup and drawing done via TorusGroup. See TorusGroup documentation.

__init__(x0=None, y0=None, z0=None, x1=None, y1=None, z1=None, color=None, r=None, g=None, b=None, radius=None, tube_radius=None, transparency=None, opacity=1.0, resolution_u=5, resolution_v=3)¶

Constructor requires:

x0, y0, z0: coordinate specifying center of torus in Angstroms.

x1, y1, z1: coordinate specifying projected center of torus: in Angstroms.
color: One of:: Color object Color name (string) Tuble of (R, G, B) (each 0.0-1.0)

radius: radius of the torus in Angstroms

tube_radius: radius of the tube of the torus in Angstroms

Optional arguments:

opacity: 0.0 (transparent) through 1.0 (opaque): Defaults to 1.0
resolution_u: 2 to 30, resolution in the U direction of the surface: Defaults to 5
resolution_v: 2 to 30, resolution in the V direction of the surface: Defaults to 3

class schrodinger.graphics3d.torus.MaestroTorus(x0=None, y0=None, z0=None, x1=None, y1=None, z1=None, color=None, r=None, g=None, b=None, radius=None, tube_radius=None, transparency=None, opacity=1.0, resolution_u=5, resolution_v=3)¶

Bases: schrodinger.graphics3d.common._MaestroPrimitiveMixin, schrodinger.graphics3d.torus.TorusCore

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

Toruses 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.torus as torus

torus_grp = common.Group()
st = maestro.workspace_get()
for bond in st.bond:
    trs = torus.MaestroTorus(
        x0=bond.atom1.x,
        y0=bond.atom1.y,
        z0=bond.atom1.z,
        x1=bond.atom2.x,
        y1=bond.atom2.y,
        z1=bond.atom2.z,
        radius=0.1,
        tube_radius=0.5,
        resolution_u=7,
        resolution_v=5,
        opacity=0.8,
        color='red'
    )
    # Add the primative to the container.
    torus_grp.add(trs)

# MaestroTorus needs to be drawn.
# No special callback like there is for Toruses is needed.
torus_grp.show()

# Hide the markers.
torus_grp.hide()

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