Scripts: surfvol.py

# Calculate the volume of each connected surface component and then delete
# all but the largest component.

# Find all surface models
from chimera import openModels
from _surface import SurfaceModel
surfs = openModels.list(modelTypes = [SurfaceModel])

# Divide surface into connected pieces, report volumes, delete all but largest.
from Surface import actions
from MeasureVolume import enclosed_volume
for s in surfs:
    pieces = []
    for p in s.surfacePieces:
        # Split surface piece into connected components.
        cplist = actions.split_surface_piece(p)
        for cp in cplist:
            # Calculate volume.
            varray, tarray = cp.geometry
            v, holes = enclosed_volume(varray, tarray)
            if holes == 0:
                pieces.append((v, cp))
    if pieces:
        # Print volumes.
        pieces.sort()
        pieces.reverse()
        volumes = ', '.join(['%.3g' % v for v,p in pieces])
        print 'Volumes ', volumes
        # Delete all but largest volume piece.
        v0, p0 = pieces[0]
        for p in s.surfacePieces:
            if p != p0:
                s.removePiece(p)