Source Code for Module lib.frame_order.format

  1  ############################################################################### 
  2  #                                                                             # 
  3  # Copyright (C) 2009-2014 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  #                                                                             # 
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 18  # along with this program.  If not, see <http://www.gnu.org/licenses/>.       # 
 19  #                                                                             # 
 20  ############################################################################### 
 21   
 22  # Module docstring. 
 23  """Module containing functions related to the Frame Order theories.""" 
 24   
 25  # Python module imports. 
 26  from numpy import array, matrix 
 27  import sys 
 28   
 29  # relax module imports. 
 30  from lib.float import isNaN 
 31   
 32   
 33 -def print_frame_order_2nd_degree(daeg, name=None, places=4, epsilon=1e-15, integer=False, dot=False, comma=True, file=None): 
 34      """Nicely print out the Frame Order matrix of the 2nd degree. 
 35   
 36      @param daeg:        The 3D, rank-4 Frame Order matrix. 
 37      @type daeg:         numpy 3D, rank-4 array 
 38      @keyword name:      The name of the matrix. 
 39      @type name:         None or str 
 40      @keyword places:    The number of decimal places to print. 
 41      @type places:       int 
 42      @keyword epsilon:   The minimum value, below which is considered zero. 
 43      @type epsilon:      float 
 44      @keyword integer:   A flag which if true will only print the integer part of the number. 
 45      @type integer:      bool 
 46      @keyword dot:       A flag which if true replaces all zeros with dot characters. 
 47      @type dot:          bool 
 48      @keyword comma:     A flag which if true causes commas to be printed between the elements. 
 49      @type comma:        bool 
 50      @keyword file:      The file object to write to. 
 51      @type file:         file object 
 52      """ 
 53   
 54      # Default name. 
 55      if not name: 
 56          name = 'Frame Order matrix, 2nd degree' 
 57   
 58      # No file given, so send to STDOUT. 
 59      if file == None: 
 60          file = sys.stdout 
 61   
 62      # Header and first row start. 
 63      file.write("\n%s:\n" % name) 
 64      file.write('[[') 
 65   
 66      # Convert to an array, if necessary. 
 67      if isinstance(daeg, matrix): 
 68          daeg = array(daeg) 
 69   
 70      # Loop over the rows. 
 71      for i in range(len(daeg)): 
 72          # 2nd to last row start. 
 73          if i != 0: 
 74              file.write(' [') 
 75   
 76          # Row end character. 
 77          char2 = '' 
 78          if comma: 
 79              char2 = ',' 
 80          if i == len(daeg) - 1: 
 81              char2 = ']' 
 82   
 83          # Loop over the columns. 
 84          for j in range(len(daeg[i])): 
 85              # Column end character. 
 86              char1 = '' 
 87              if comma: 
 88                  char1 = ',' 
 89              if j == len(daeg[i]) - 1: 
 90                  char1 = ']%s\n' % char2 
 91   
 92              # Write out the elements. 
 93              if abs(daeg[i, j]) > epsilon: 
 94                  # Integer printout. 
 95                  if integer: 
 96                      val = int(daeg[i, j]) 
 97                      format = "%" + repr(places) + "i%s" 
 98   
 99                  # Float printout. 
100                  else: 
101                      val = daeg[i, j] 
102                      format = "%" + repr(places+6) + "." + repr(places) + "f%s" 
103   
104              # NaN. 
105              elif isNaN(daeg[i, j]): 
106                  val = 'NaN' 
107                  if integer: 
108                      format = "%" + repr(places) + "i%s" 
109                  else: 
110                      format = "%" + repr(places+6) + "s%s" 
111   
112              # Write out the zero elements. 
113              else: 
114                  # Integer printout. 
115                  if integer: 
116                      format = "%" + repr(places) + "s%s" 
117   
118                  # Float printout. 
119                  else: 
120                      format = "%" + repr(places+6) + "s%s" 
121   
122                  # The character. 
123                  if dot: 
124                      val = '.' 
125                  else: 
126                      val = '0' 
127   
128              # Write. 
129              file.write(format % (val, char1)) 
130