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1 ############################################################################### 2 # # 3 # Copyright (C) 2014 Edward d'Auvergne # 4 # # 5 # This file is part of the program relax (http://www.nmr-relax.com). # 6 # # 7 # This program is free software: you can redistribute it and/or modify # 8 # it under the terms of the GNU General Public License as published by # 9 # the Free Software Foundation, either version 3 of the License, or # 10 # (at your option) any later version. # 11 # # 12 # This program is distributed in the hope that it will be useful, # 13 # but WITHOUT ANY WARRANTY; without even the implied warranty of # 14 # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the # 15 # GNU General Public License for more details. # 16 # # 17 # You should have received a copy of the GNU General Public License # 18 # along with this program. If not, see <http://www.gnu.org/licenses/>. # 19 # # 20 ############################################################################### 21 22 # Module docstring. 23 """Module for data plotting in plain text format.""" 24 25 # relax module imports. 26 from lib.io import open_write_file 27 2830 """Gnuplot plotting function for representing correlation matrices. 31 32 @keyword matrix: The correlation matrix. This must be a square matrix. 33 @type matrix: numpy rank-2 array. 34 @keyword labels: The labels for each element of the matrix. The same label is assumed for each [i, i] pair in the matrix. 35 @type labels: list of str 36 @keyword file: The name of the file to create. 37 @type file: str 38 @keyword dir: The directory where the PDB file will be placed. If set to None, then the file will be placed in the current directory. 39 @type dir: str or None 40 """ 41 42 # Open the text file for writing. 43 output = open_write_file(file, dir=dir, force=force) 44 45 # The dimensions. 46 n = len(matrix) 47 48 # The header line. 49 output.write('#') 50 for i in range(n): 51 if i == 0: 52 output.write(" %18s" % labels[i]) 53 else: 54 output.write(" %20s" % labels[i]) 55 output.write('\n') 56 57 # Output the matrix. 58 for i in range(n): 59 for j in range(n): 60 # Output the matrix. 61 if j == 0: 62 output.write("%20.15f" % matrix[i, j]) 63 else: 64 output.write(" %20.15f" % matrix[i, j]) 65 66 # End of the current line. 67 output.write('\n') 68 69 # Close the file. 70 output.close()71
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