Difference between revisions of "Perp maker"

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<source lang="python">
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{{Infobox script-repo
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#
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|type      = script
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# $Id$
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|filename  = perp_maker.py
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#
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|author    = [[User:Inchoate|Jason Vertrees]]
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|license  = MIT
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}}
  
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#
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The '''perp_maker.py''' script creates perpendicular planes.
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# perp_maker.py: Nothing to do with cops.  Given a simple PyMol scene, attempts to
 
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# create a CGO background triangle perpendicular to the vector created - which is
 
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# parallel to the line segment drawn through the camera point and current center of
 
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# mass - as obtained by "get_position," or "get_view."
 
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#
 
  
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#
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Nothing to do with cops.  Given a simple PyMol scene, attempts to create a CGO background triangle perpendicular to the vector created - which is parallel to the line segment drawn through the camera point and current center of mass - as obtained by "get_position," or "get_view."
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# To use: Load your scene.  Orient the scene as you wish.  Run the script.
 
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# Could it be any simpler?!
 
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#
 
  
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# The TTT Matrix has to be the identity, do achieve this result.  So,
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== Usage ==
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# run the following:
 
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#  -- 'reset'
 
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#  -- then orient your molecule as desired using the EDITING features!
 
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#    -- before running this script, make sure 'get_view' shows the identity
 
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#    -- matrix for the first 9 elements.
 
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#  -- then run the script
 
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#
 
  
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* Load your scene
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* Orient the scene as you wish
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* [[Running Scripts|Run]] the script
  
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import pymol
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Could it be any simpler?
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import math
 
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import sys
 
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import random
 
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from pymol.cgo import *
 
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from pymol.vfont import plain
 
  
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############################################################
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You can rotate and move the plane using the editing features (A > drag, Shift+Drag with right, middle or left mouse button).
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#
 
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# Methods
 
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#
 
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############################################################
 
  
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#
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[[Category:Script_Library]]
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# Given the viewVector and center, creates a random sized plane
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[[Category:Math_Scripts]]
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# perpendicular to the viewVector through the origin.  It is then
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[[Category:Pymol-script-repo]]
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# the next step's responsibility to move the plane back some so
 
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# it dosen't cut the molecule/scene in half.
 
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#
 
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def getPPlane( viewVector, center, side_length=100 ):
 
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        """Returns a 3-tuple of 3D points representing the perp. plane."""
 
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        # for reproduceable testing
 
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        #random.seed(10)
 
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        #
 
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        # The formula for a plane with our chacteristics is defined by
 
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        #
 
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        # A(x - x') + B(y - y') + C(y - y') + D = 0, where
 
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        # A, B and C are not all zero coefficients in the vector
 
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        # Ai + Bj + Ck such that the plane is perpendicular to this
 
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        # vector; x, y, and z are points on the plane; x', y', and z'
 
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        # are the coordiates through which the plane shall run.
 
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        #
 
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        # This is fool-ass.  Gotta' be a better way to do this.
 
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        # Declaring that rVal is a 3-Tuple.
 
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        rVal = [ [], [], [], [], [], [] ]
 
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        # Compose two triangles into a square.
 
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        # Never learned any GFX coding, so I'm sure there's something
 
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        # better than this; but, this works.
 
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        for i in range(0, 6):
 
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                if ( i == 0 ) or ( i == 5 ):
 
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                        x = -side_length + center[0]
 
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                        y = -side_length + center[1]
 
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                elif (i == 1):
 
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                        x = -side_length + center[0]
 
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                        y =  side_length + center[1]
 
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                elif ( i == 2 ) or ( i == 3 ):
 
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                        x = side_length + center[0]
 
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                        y = side_length + center[1]
 
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                elif ( i == 4):
 
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                        x = side_length + center[0]
 
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                        y = -side_length + center[1]
 
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                if ( viewVector[2] != 0 ):
 
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                        z = -(((viewVector[0]*(x - center[0])) - (viewVector[1]*(y - center[1]))) /
 
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viewVector[2]) + center[2]
 
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                else:
 
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                        print "Z-component of viewVector is zero.  Now, I need a nonzero value here
 
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so I'm just making one up. :)"
 
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                        z = random.randint(-200, 200)
 
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                rVal[i] = [x, y, z]
 
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        return rVal
 
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############################################################
 
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#
 
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# End methods
 
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#
 
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############################################################
 
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#
 
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# First, get the center and camera locations
 
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#
 
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view = cmd.get_view()
 
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camera = [ view[9], view[10], view[11] ]
 
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center = [ view[12], view[13], view[14] ]
 
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#
 
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# Sanity check
 
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#
 
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print "Camera is: " + str(camera)
 
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print "Center is: " + str(center)
 
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#
 
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# Create the vector through the two points directed
 
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# from the camera to the center - the viewVector
 
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#
 
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viewVector = [ center[0] - camera[0],
 
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                          center[1] - camera[1],
 
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                          center[2] - camera[2] ]
 
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print "ViewVector is: " + str(viewVector)
 
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#
 
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# Create the plane perpendicular to the viewVector
 
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# running through the origin
 
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#
 
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pPlane = getPPlane( viewVector, center, side_length=100 )
 
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print "Plane points calculated as: " + str(pPlane)
 
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#
 
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# Now translate the plane down away from the camera along the viewVector axis
 
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#
 
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# now create the CGO and load from the points
 
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obj = [
 
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        BEGIN, TRIANGLES,
 
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        COLOR, 0.2, 0.4, 1,
 
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        VERTEX, pPlane[0][0], pPlane[0][1], pPlane[0][2],
 
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        VERTEX, pPlane[1][0], pPlane[1][1], pPlane[1][2],
 
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        VERTEX, pPlane[2][0], pPlane[2][1], pPlane[2][2],
 
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        VERTEX, pPlane[3][0], pPlane[3][1], pPlane[3][2],
 
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        VERTEX, pPlane[4][0], pPlane[4][1], pPlane[4][2],
 
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        VERTEX, pPlane[5][0], pPlane[5][1], pPlane[5][2],
 
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        END
 
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        ]
 
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cmd.load_cgo( obj, 'pPlane')
 
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cmd.set_view( view )
 
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</source>
 
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[[Category:Scripting_Script_Library]]
 

Latest revision as of 18:06, 9 December 2013

Type Python Script
Download perp_maker.py
Author(s) Jason Vertrees
License MIT
This code has been put under version control in the project Pymol-script-repo

The perp_maker.py script creates perpendicular planes.

Nothing to do with cops. Given a simple PyMol scene, attempts to create a CGO background triangle perpendicular to the vector created - which is parallel to the line segment drawn through the camera point and current center of mass - as obtained by "get_position," or "get_view."

Usage

  • Load your scene
  • Orient the scene as you wish
  • Run the script

Could it be any simpler?

You can rotate and move the plane using the editing features (A > drag, Shift+Drag with right, middle or left mouse button).

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