interpolate microstructure using Delaunay triangulation and Barycentric interpolation.
This commit is contained in:
Chen Zhang
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#!/usr/bin/env python
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##
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# This script will read in all the seeds and partition the space
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# using scipy.spatial.Delaunay triangulation.
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# The unknown location will be then interpolated through Barycentric
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# interpolation method, which relies on the triangulation.
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# A rim will be automatically added to the patch, which will help
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# improve the compatibility with the spectral solver as well as
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# maintain meaningful microstructure(reduce artifacts).
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import sys, os
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import numpy as np
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import argparse
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from scipy.spatial import Delaunay
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scriptID = string.replace('$Id$','\n','\\n')
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scriptName = os.path.splitext(scriptID.split()[1])[0]
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OFFSET = 0.1 #resize the seeded volume to give space for rim/pan
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PHANTOM_ID = -1 #grain ID for phantom seeds
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def d_print(info, data, separator=False):
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'''quickly print debug information'''
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if(separator): print "*"*80
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print info
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print data
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#prepare command line interface
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parser = argparse.ArgumentParser(prog="geoFromBarycentic",
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description='''Generate geom file through \
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Barycentric interpolating seeds file.''',
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epilog="requires numpy, scipy, and \
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ezxtal(https://github.com/KedoKudo/ezxtal.git).")
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parser.add_argument("seeds",
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help="seeds file in DAMASK format:\
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http://damask.mpie.de/Documentation/AsciiTableFormat",
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default="test.seeds")
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parser.add_argument("-v", "--version",
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action="version",
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version="%(prog)s 0.1")
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parser.add_argument("-g", "--grid",
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nargs=3,
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help="grid size(mesh resolution, recommend using 2^x)",
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default=[32,32,32],
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type=int)
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parser.add_argument("-s", "--size",
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help="physical size of the target volume.",
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nargs=3,
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default=[1.0,1.0,1.0],
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type=float)
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parser.add_argument("-o", "--origin",
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help="lower left corner of the patch.",
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nargs=3,
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default=[0.0,0.0,0.0],
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type=float)
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parser.add_argument('-m', '--homogenization',
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help='homogenization index to be used',
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default=1,
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type=int)
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parser.add_argument('-c', '--crystallite',
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help='crystallite index to be used',
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default=1,
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type=int)
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parser.add_argument('-p', '--phase',
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help='phase index to be used',
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default=1,
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type=int)
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parser.add_argument('-F', '--Favg',
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help='reshape the periodicity, not useful for RIM method',
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nargs=9,
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default=[1.0,0.0,0.0,
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0.0,1.0,0.0,
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0.0,0.0,1.0],
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type=float)
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parser.add_argument("-G", "--geomFile",
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help='the name of the output geom file',
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default='seeds.geom',
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type=str)
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parser.add_argument("-C", "--configFile",
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help='output dummy material.config file',
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action='store_true',
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default=False)
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parser.add_argument("-d", "--debug",
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help="start debugging script",
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action='store_true',
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default=False)
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parser.add_argument("-S", "--seedsFile",
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help="write out resized seeds file",
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action='store_true',
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default=False)
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parser.add_argument("-r", '--addRim',
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help="add rim and provide control of face lifting point",
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action='store_true',
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default=False)
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args = parser.parse_args() # get all the arguments right after
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#quick help to user
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print "*"*80
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parser.print_help()
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print '''Sample usage:
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./geoFromBarycentic.py 20grains.seeds -g 128 128 128 -S -r; geom_check seeds.geom; seeds_check new_seed.seeds.
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'''
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print "*"*80
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if (args.debug):
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d_print("args are:", parser.parse_args(),separator=True)
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#/\/\/\/\/#
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# m a i n #
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#\/\/\/\/\#
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print "only work for 3D case now, 2D support coming soon..."
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print "reading seeds file: {}".format(args.seeds)
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with open(args.seeds, 'r') as f:
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rawtext = f.readlines()
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n_header = int(rawtext.pop(0).split()[0])
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#record all the seeds position
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if (args.addRim):
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grid_shift = np.array(args.size) * np.array([OFFSET,OFFSET,OFFSET*2])
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s_coords = np.array([[np.array(float(item))*(1 - OFFSET*2)
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for item in line.split()[:3]] + grid_shift
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for line in rawtext[n_header:]])
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else:
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#no need for shifting with periodicity
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s_coords = np.array([[np.array(float(item))
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for item in line.split()[:3]]
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for line in rawtext[n_header:]])
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#record ID of the seeds: int/EulerAngles
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if 'microstructure' in rawtext[n_header-1]:
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s_id = [int(line.split()[-1]) for line in rawtext[n_header:]]
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else:
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print "WARNING:"
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print "THIS SCRIPT DOES NOT UNDERSTAND HOW TO GROUP CRYSTALLITES."
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print "ALL CRYSTAL ORIENTATIONS ARE CONSIDERED TO BE UNIQUE."
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print "FOR MORE ACCURATE CONTROL OF SEEDS GROUPING, USE MICROSTRUCTURE ID."
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s_id = range(len(s_coords))
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#s_eulers here is just a quick book keeping
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s_eulers = np.array([[float(item) for item in line.split()[3:]]
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for line in rawtext[n_header:]])
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if(args.debug):
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print d_print("resize point cloud to make space for rim/pan:",
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s_coords)
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if(args.addRim):
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#add binding box to create rim/pan for the volume where the ID of the seeds is
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#unknown
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print "Shrining the seeds to {}x in each direction".format(1 - OFFSET*2)
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x,y,z = args.size[0],args.size[1],args.size[2]
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print "Use circumscribed sphere to place phantom seeds."
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r = np.sqrt(x**2+y**2+z**2)/2.0
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BINDBOX = [[0,0,0],[x,0,0],[0,y,0],[x,y,0],
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[0,0,z],[x,0,z],[0,y,z],[x,y,z],
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[x/2.0+r,y/2, z/2], [x/2.0-r, y/2, z/2],
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[x/2, y/2.0+r, z/2], [x/2, y/2.0-r, z/2],
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[x/2, y/2, z/2.0-r]] #8 corners + 5 face centers (no top)
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print "Adding phantom seeds for RIM generation:"
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for point in BINDBOX:
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print point
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s_coords = np.vstack([s_coords,point])
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s_id.append(PHANTOM_ID)
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else:
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#The idea here is that we read in each seed point, than duplicate in 3D (make a few copies),
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#move on to the next seed point, repeat the same procedure. As for the ID list, we can just use the
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#same one. The trick here is use the floor division to find the correct id since we pretty much duplicate
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#the same point several times.
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Favg = np.array(args.Favg).reshape((3,3))
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x,y,z = args.size[0],args.size[1],args.size[2]
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tmp = []
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for seed in s_coords:
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tmp += [np.dot(Favg, np.array(seed) + np.array([dx,dy,dz]))
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for dz in [-z, 0, z]
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for dy in [-y, 0, y]
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for dx in [-x, 0, x]]
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s_coords = tmp
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for item in tmp:
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print item
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if (args.seedsFile):
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with open("new_seed.seeds", "w") as f:
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outstr = "4\theader\n"
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outstr += "grid\ta {}\tb {}\tc {}\n".format(args.grid[0],
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args.grid[1],
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args.grid[2])
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outstr += "microstructures {}\n".format(len(set(s_id)))
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outstr += "randomSeed 0\n"
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outstr += "x\ty\tz\tmicrostructure"
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if (args.addRim):
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for i in range(len(s_id)):
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outstr += "{}\t{}\t{}\t{}\n".format(s_coords[i][0],
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s_coords[i][1],
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s_coords[i][2],
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s_id[i])
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else:
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for i in range(len(s_coords)):
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outstr += "{}\t{}\t{}\t{}\n".format(s_coords[i][0],
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s_coords[i][1],
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s_coords[i][2],
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s_id[i//3**3])
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f.write(outstr)
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#triangulate space with given point-clouds
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tri = Delaunay(s_coords)
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if(args.debug):
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d_print("simplices:", tri.simplices, separator=True)
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d_print("vertices:", s_coords[tri.simplices])
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#populate grid points (only 3D for now)
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mesh_pts = [[(i+0.5)*args.size[0]/args.grid[0],
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(j+0.5)*args.size[1]/args.grid[1],
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(k+0.5)*args.size[2]/args.grid[2]]
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for k in range(args.grid[2])
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for j in range(args.grid[1])
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for i in range(args.grid[0])]
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mesh_ids = [PHANTOM_ID*2]*len(mesh_pts) #initialize grid
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#search ID for each grid point
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s_id = np.array(s_id) #allow multi-indexing
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mesh_idx = tri.find_simplex(mesh_pts)
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for i, pt in enumerate(mesh_pts):
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if mesh_idx[i] < 0:
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continue #didn't find any envelop tetrahedron --> something wrong!
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#calculate Barycentric coordinates
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bary_c = tri.transform[mesh_idx[i],:3,:3].dot(pt-tri.transform[mesh_idx[i],3,:])
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bary_c = np.append(bary_c, 1 - bary_c.sum())
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if (args.addRim):
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tmp_ids = s_id[tri.simplices[mesh_idx[i]]] #rim method
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else:
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tmp_ids = np.array(s_id[tri.simplices[mesh_idx[i]]//(3**3)]) #kill periodicity through floor division
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#print tmp_ids
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#print tri.simplices[mesh_idx[i]]//(3**3)
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max_weight = -1960
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for this_id in tmp_ids:
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msk = [item==this_id for item in tmp_ids] #find vertex with the same id
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tmp_weight = sum([bary_c[j] for j in range(len(bary_c)) if msk[j]])
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if tmp_weight > max_weight:
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max_weight = tmp_weight
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mesh_ids[i] = this_id
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if (args.debug):
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d_print("bary_c:",bary_c,separator=True)
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d_print("vertex ID:", tmp_ids)
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d_print("final ID:", mesh_ids[i])
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mesh_ids = np.reshape(mesh_ids, (-1, args.grid[0]))
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#write to file
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with open(args.geomFile, "w") as f:
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outstr = "5\theader\n"
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outstr += "grid\ta {}\tb {}\tc {}\n".format(args.grid[0],
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args.grid[1],
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args.grid[2])
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outstr += "size\tx {}\ty {}\tz {}\n".format(args.size[0],
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args.size[1],
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args.size[2])
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outstr += "origin\tx {}\ty {}\tz {}\n".format(args.origin[0],
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args.origin[1],
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args.origin[2])
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outstr += "homogenization\t{}\nmicrostructure\t{}\n".format(args.homogenization,
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len(set(s_id)))
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for row in mesh_ids:
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row = [str(item) for item in list(row)]
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outstr += "\t".join(row) + "\n"
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f.write(outstr)
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