diff --git a/python/damask/table.py b/python/damask/table.py index 0c9f3ac40..2eacef58e 100644 --- a/python/damask/table.py +++ b/python/damask/table.py @@ -6,7 +6,7 @@ import numpy as np class Table(): """Store spreadsheet-like data.""" - def __init__(self,array,headings,comments=None): + def __init__(self,array,columns,comments=None): """ New spreadsheet data. @@ -14,8 +14,8 @@ class Table(): ---------- array : numpy.ndarray Data. - headings : dict - Column headings. Labels as keys and shape as tuple. Example 'F':(3,3) for a deformation gradient. + columns : dict + Column labels and shape. Example 'F':(3,3) for a deformation gradient. comments : iterable of str, optional Additional, human-readable information @@ -24,8 +24,8 @@ class Table(): d = {} i = 0 - for label in headings: - for components in range(np.prod(headings[label])): + for label in columns: + for components in range(np.prod(columns[label])): d[i] = label i+=1 @@ -36,7 +36,7 @@ class Table(): else: self.comments = [c for c in comments] - self.headings = headings + self.columns = columns @staticmethod def from_ASCII(fname): @@ -46,6 +46,12 @@ class Table(): The first line needs to indicate the number of subsequent header lines as 'n header'. Vector data labels are indicated by '1_x, 2_x, ..., n_x'. Tensor data labels are indicated by '3x3:1_x, 3x3:2_x, ..., 3x3:9_x'. + + Parameters + ---------- + fname : file, str, or pathlib.Path + Filename or file for reading. + """ try: f = open(fname) @@ -60,20 +66,20 @@ class Table(): comments = [f.readline()[:-1] for i in range(header-1)] labels = f.readline().split() - headings = {} + columns = {} for label in labels: tensor_column = re.search(r'[0-9,x]*?:[0-9]*?_',label) if tensor_column: my_shape = tensor_column.group().split(':',1)[0].split('x') - headings[label.split('_',1)[1]] = tuple([int(d) for d in my_shape]) + columns[label.split('_',1)[1]] = tuple([int(d) for d in my_shape]) else: vector_column = re.match(r'[0-9]*?_',label) if vector_column: - headings[label.split('_',1)[1]] = (int(label.split('_',1)[0]),) + columns[label.split('_',1)[1]] = (int(label.split('_',1)[0]),) else: - headings[label]=(1,) + columns[label]=(1,) - return Table(np.loadtxt(f),headings,comments) + return Table(np.loadtxt(f),columns,comments) def get_array(self,label): """Return data as array.""" @@ -81,10 +87,22 @@ class Table(): idx,key = label.split('_',1) return self.data[key].to_numpy()[:,int(idx)-1] else: - return self.data[label].to_numpy().reshape((-1,)+self.headings[label]) + return self.data[label].to_numpy().reshape((-1,)+self.columns[label]) def set_array(self,label,array,info): - """Set data.""" + """ + Modify data in the spreadsheet. + + Parameters + ---------- + label : str + Label for the new data + array : np.ndarray + New data + info : str + Human-readable information about the new data + + """ if np.prod(array.shape[1:],dtype=int) == 1: self.comments.append('{}: {}'.format(label,info)) else: @@ -97,34 +115,56 @@ class Table(): else: self.data[label] = array.reshape(self.data[label].shape) - def get_labels(self): """Return the labels of all columns.""" - return [label for label in self.headings] + return [label for label in self.columns] def add_array(self,label,array,info): + """ + Add data to the spreadsheet. + + Parameters + ---------- + label : str + Label for the new data + array : np.ndarray + New data + info : str + Human-readable information about the new data + + """ if np.prod(array.shape[1:],dtype=int) == 1: self.comments.append('{}: {}'.format(label,info)) else: self.comments.append('{} {}: {}'.format(label,array.shape[1:],info)) - self.headings[label] = array.shape[1:] if len(array.shape) > 1 else (1,) + self.columns[label] = array.shape[1:] if len(array.shape) > 1 else (1,) size = np.prod(array.shape[1:],dtype=int) new_data = pd.DataFrame(data=array.reshape(-1,size), columns=[label for l in range(size)]) self.data = pd.concat([self.data,new_data],axis=1) def to_ASCII(self,fname): + """ + Store as plain text file. + + Parameters + ---------- + fname : file, str, or pathlib.Path + Filename or file for reading. + + """ + labels = [] - for l in self.headings: - if(self.headings[l] == (1,)): + for l in self.columns: + if(self.columns[l] == (1,)): labels.append('{}'.format(l)) - elif(len(self.headings[l]) == 1): + elif(len(self.columns[l]) == 1): labels+=['{}_{}'.format(i+1,l)\ - for i in range(self.headings[l][0])] + for i in range(self.columns[l][0])] else: - labels+=['{}:{}_{}'.format(i+1,'x'.join([str(d) for d in self.headings[l]]),l)\ - for i in range(np.prod(self.headings[l],dtype=int))] + labels+=['{}:{}_{}'.format(i+1,'x'.join([str(d) for d in self.columns[l]]),l)\ + for i in range(np.prod(self.columns[l],dtype=int))] header = ['{} header'.format(len(self.comments)+1)]\ + self.comments\