Source code for snudda.place.create_cube_mesh

import os

import numpy as np


[docs] def create_cube_mesh(file_name, centre_point, side_len, description=None, verbose=False): """ Creates a cube mesh in wavefront file format. Args: file_name (str) : Path to output file centre_point (float, float, float): Centre of cube side_len (float) : Side of cube description (str) : Description added to file header verbose (bool) : Display extra information """ mesh_dir = os.path.dirname(file_name) if len(mesh_dir) > 0 and not os.path.exists(mesh_dir): os.makedirs(mesh_dir) if type(centre_point) is not np.ndarray: centre_point = np.array(centre_point) if verbose: print("Creating cube mesh") print(f"File: {file_name}") print(f"Centre: {centre_point}") print(f"Side: {side_len}") print(f"Description: {description}") vertex = np.array([[0.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, 1.0, 0.0], [0.0, 1.0, 1.0], [1.0, 0.0, 0.0], [1.0, 0.0, 1.0], [1.0, 1.0, 0.0], [1.0, 1.0, 1.0]]) # Centre cube vertex -= np.array([0.5, 0.5, 0.5]) # Scale the cube to right size vertex *= side_len # Position cube vertex += centre_point vertex *= 1e6 # The other obj files are in micrometers, so convert :( normal_str = "vn 0.0 0.0 1.0\n" \ + "vn 0.0 0.0 -1.0\n" \ + "vn 0.0 1.0 0.0\n" \ + "vn 0.0 -1.0 0.0\n" \ + "vn 1.0 0.0 0.0\n" \ + "vn -1.0 0.0 0.0\n" face_str = "f 1//2 7//2 5//2\n" \ + "f 1//2 3//2 7//2\n" \ + "f 1//6 4//6 3//6\n" \ + "f 1//6 2//6 4//6\n" \ + "f 3//3 8//3 7//3\n" \ + "f 3//3 4//3 8//3\n" \ + "f 5//5 7//5 8//5\n" \ + "f 5//5 8//5 6//5\n" \ + "f 1//4 5//4 6//4\n" \ + "f 1//4 6//4 2//4\n" \ + "f 2//1 6//1 8//1\n" \ + "f 2//1 8//1 4//1\n" with open(file_name, 'wt') as f: f.write("# Generated by create_cube_mesh.py\n") f.write(f"# {description}\n\n") f.write("g cube\n\n") for row in vertex: f.write("v %f %f %f\n" % tuple(row)) f.write(f"\n{normal_str}") f.write(f"\n{face_str}")
def cube_cli(): import argparse parser = argparse.ArgumentParser("Create cube mesh for Snudda") parser.add_argument("filename", help="Filename of obj file") parser.add_argument("side_len", help="Length of the side (units micrometers)", type=float) parser.add_argument("--center", "-center", help="Center of cube", default="0,0,0") parser.add_argument("--description", help="Description of cube", default=None) args = parser.parse_args() center = [float(x)*1e-6 for x in args.center.split(",")] desc = args.description if desc is None: desc = f"Cube with side length {args.side_len} micrometers, centered at {args.center}" print(f"Creating {args.filename} with side length {args.side_len} micrometers, centered at {args.center}") create_cube_mesh(file_name=args.filename, centre_point=center, side_len=args.side_len*1e-6, description=desc) if __name__ == "__main__": cube_cli()