DAMASK_EICMD/python/damask/geom.py

207 lines
7.9 KiB
Python

import math
from io import StringIO
import numpy as np
from . import util
class Geom():
"""Geometry definition for grid solvers"""
def __init__(self,microstructure,size,origin=[0.0,0.0,0.0],homogenization=1,comments=[]):
"""New geometry definition from array of microstructures and size"""
self.set_size(size)
self.set_origin(origin)
self.set_microstructure(microstructure)
self.set_homogenization(homogenization)
self.set_comments(comments)
def __repr__(self):
"""Basic information on geometry definition"""
return 'grid a b c: {}\n'.format(' x '.join(map(str,self.get_grid ()))) + \
'size x y z: {}\n'.format(' x '.join(map(str,self.get_size ()))) + \
'origin x y z: {}\n'.format(' x '.join(map(str,self.get_origin()))) + \
'homogenization: {}\n'.format(self.get_homogenization()) + \
'# microstructures: {}\n'.format(len(np.unique(self.microstructure))) + \
'max microstructures: {}\n'.format(np.nanmax(self.microstructure))
def update(self,microstructure=None,size=None,origin=None,rescale=False):
"""Updates microstructure and size"""
grid_old = self.get_grid()
size_old = self.get_size()
origin_old = self.get_origin()
unique_old = len(np.unique(self.microstructure))
max_old = np.nanmax(self.microstructure)
if size is not None and rescale:
raise ValueError('Either set size explicitly or rescale automatically')
self.set_microstructure(microstructure)
self.set_size(self.get_grid()/grid_old*self.size if rescale else size)
self.set_origin(origin)
message = ['grid a b c: {}'.format(' x '.join(map(str,grid_old)))]
if np.any(grid_old != self.get_grid()):
message[-1] = util.delete(message[-1])
message.append('grid a b c: {}'.format(' x '.join(map(str,self.get_grid()))))
message.append('size x y z: {}'.format(' x '.join(map(str,size_old))))
if np.any(size_old != self.get_size()):
message[-1] = util.delete(message[-1])
message.append('size x y z: {}'.format(' x '.join(map(str,self.get_size()))))
message.append('origin x y z: {}'.format(' x '.join(map(str,origin_old))))
if np.any(origin_old != self.get_origin()):
message[-1] = util.delete(message[-1])
message.append('origin x y z: {}'.format(' x '.join(map(str,self.get_origin()))))
message.append('homogenization: {}'.format(self.get_homogenization()))
message.append('# microstructures: {}'.format(unique_old))
if unique_old != len(np.unique(self.microstructure)):
message[-1] = util.delete(message[-1])
message.append('# microstructures: {}'.format(len(np.unique(self.microstructure))))
message.append('max microstructure: {}'.format(max_old))
if max_old != np.nanmax(self.microstructure):
message[-1] = util.delete(message[-1])
message.append('max microstructure: {}'.format(np.nanmax(self.microstructure)))
return util.return_message(message)
def set_comments(self,comments):
self.comments = []
self.add_comments(comments)
def add_comments(self,comments):
self.comments += [str(c) for c in comments] if isinstance(comments,list) else [str(comments)]
def set_microstructure(self,microstructure):
if microstructure is not None:
if len(microstructure.shape) != 3:
raise ValueError('Invalid microstructure shape {}'.format(*microstructure.shape))
elif microstructure.dtype not in [int,float]:
raise TypeError('Invalid data type {} for microstructure'.format(microstructure.dtype))
else:
self.microstructure = np.copy(microstructure)
def set_size(self,size):
if size is not None:
if len(size) != 3 or any(np.array(size)<=0):
raise ValueError('Invalid size {}'.format(*size))
else:
self.size = np.array(size)
def set_origin(self,origin):
if origin is not None:
if len(origin) != 3:
raise ValueError('Invalid origin {}'.format(*origin))
else:
self.origin = np.array(origin)
def set_homogenization(self,homogenization):
if homogenization is not None:
if not isinstance(homogenization,int) or homogenization < 1:
raise TypeError('Invalid homogenization {}'.format(homogenization))
else:
self.homogenization = homogenization
def get_microstructure(self):
return np.copy(self.microstructure)
def get_size(self):
return np.copy(self.size)
def get_origin(self):
return np.copy(self.origin)
def get_grid(self):
return np.array(self.microstructure.shape)
def get_homogenization(self):
return self.homogenization
def get_comments(self):
return self.comments[:]
def get_header(self):
header = ['{} header'.format(len(self.comments)+4)] + self.comments
header.append('grid a {} b {} c {}'.format(*self.get_grid()))
header.append('size x {} y {} z {}'.format(*self.get_size()))
header.append('origin x {} y {} z {}'.format(*self.get_origin()))
header.append('homogenization {}'.format(self.get_homogenization()))
return header
@classmethod
def from_file(cls,fname):
"""Reads a geom file"""
with (open(fname) if isinstance(fname,str) else fname) as f:
f.seek(0)
header_length,keyword = f.readline().split()[:2]
header_length = int(header_length)
content = f.readlines()
if not keyword.startswith('head') or header_length < 3:
raise TypeError('Header length information missing or invalid')
comments = []
for i,line in enumerate(content[:header_length]):
items = line.lower().strip().split()
key = items[0] if len(items) > 0 else ''
if key == 'grid':
grid = np.array([ int(dict(zip(items[1::2],items[2::2]))[i]) for i in ['a','b','c']])
elif key == 'size':
size = np.array([float(dict(zip(items[1::2],items[2::2]))[i]) for i in ['x','y','z']])
elif key == 'origin':
origin = np.array([float(dict(zip(items[1::2],items[2::2]))[i]) for i in ['x','y','z']])
elif key == 'homogenization':
homogenization = int(items[1])
else:
comments.append(line.strip())
microstructure = np.empty(grid.prod()) # initialize as flat array
i = 0
for line in content[header_length:]:
items = line.split()
if len(items) == 3:
if items[1].lower() == 'of':
items = np.ones(int(items[0]))*float(items[2])
elif items[1].lower() == 'to':
items = np.linspace(int(items[0]),int(items[2]),
abs(int(items[2])-int(items[0]))+1,dtype=float)
else: items = list(map(float,items))
else: items = list(map(float,items))
microstructure[i:i+len(items)] = items
i += len(items)
if i != grid.prod():
raise TypeError('Invalid file: expected {} entries,found {}'.format(grid.prod(),i))
microstructure = microstructure.reshape(grid,order='F')
if not np.any(np.mod(microstructure.flatten(),1) != 0.0): # no float present
microstructure = microstructure.astype('int')
return cls(microstructure.reshape(grid),size,origin,homogenization,comments)
def to_file(self,fname):
"""Writes to file"""
header = self.get_header()
grid = self.get_grid()
format_string = '%{}i'.format(int(math.floor(math.log10(self.microstructure.max())+1))) if self.microstructure.dtype == int \
else '%g'
np.savetxt(fname,
self.microstructure.reshape([grid[0],np.prod(grid[1:])],order='F').T,
header='\n'.join(header), fmt=format_string, comments='')
def show(self):
"""Show raw content (as in file)"""
f=StringIO()
self.to_file(f)
f.seek(0)
return ''.join(f.readlines())