Source Code for Module relax_errors

   1  ############################################################################### 
   2  #                                                                             # 
   3  # Copyright (C) 2003-2013 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 containing all of the RelaxError objects.""" 
  24   
  25   
  26  # Python module imports. 
  27  try: 
  28      from bz2 import BZ2File 
  29      bz2 = True 
  30  except ImportError: 
  31      bz2 = False 
  32  from re import match 
  33  import sys 
  34  import time 
  35   
  36  # relax module imports. 
  37  from compat import pickle 
  38  import ansi 
  39   
  40   
  41  # Text variables. 
  42  BIN = 'a binary number (0 or 1)' 
  43  BOOL = 'a Boolean (True or False)' 
  44  INT = 'an integer' 
  45  FILE = 'a file object' 
  46  FLOAT = 'a floating point number' 
  47  FUNC = 'a function' 
  48  LIST = 'a list' 
  49  LIST_FLOAT = 'a list of floating point numbers' 
  50  LIST_INT = 'a list of integers' 
  51  LIST_NUM = 'a list of numbers' 
  52  LIST_STR = 'a list of strings' 
  53  LIST_VAL = 'a list of values' 
  54  MATRIX_FLOAT = 'a matrix of floating point numbers' 
  55  NONE = 'None' 
  56  NUM = 'a number' 
  57  TUPLE = 'a tuple' 
  58  TUPLE_FLOAT = 'a tuple of floating point numbers' 
  59  TUPLE_INT = 'a tuple of integers' 
  60  TUPLE_NUM = 'a tuple of numbers' 
  61  TUPLE_STR = 'a tuple of strings' 
  62  STR = 'a string' 
  63  VAL = 'a value' 
  64   
  65   
  66 -def save_state(): 
  67      """Save the program state, for debugging purposes.""" 
  68   
  69      # relax data store singleton import.  Must be done here! 
  70      try: 
  71          from data import Relax_data_store; ds = Relax_data_store() 
  72   
  73      # Ok, this is not relax so don't do anything! 
  74      except ImportError: 
  75          return 
  76   
  77      # Append the date and time to the save file. 
  78      now = time.localtime() 
  79      file_name = "relax_state_%i%02i%02i_%02i%02i%02i" % (now[0], now[1], now[2], now[3], now[4], now[5]) 
  80   
  81      # Open the file for writing. 
  82      if bz2: 
  83          sys.stderr.write("\n\nStoring the relax state in the file '%s.bz2'.\n\n\n" % file_name) 
  84          file = BZ2File(file_name+'.bz2', 'w') 
  85      else: 
  86          sys.stderr.write("\n\nStoring the relax state in the file '%s'.\n\n\n" % file_name) 
  87          file = open(file_name, 'w') 
  88   
  89      # Pickle the data class and write it to file 
  90      pickle.dump(ds, file, 1) 
  91   
  92      # Close the file. 
  93      file.close() 
  94   
  95   
  96 -def list_to_text(data): 
  97      """Convert the given Python list to a text representation. 
  98   
  99      @param data:    The list of Python objects. 
 100      @type data:     list 
 101      @return:        The English text version of the list. 
 102      @rtype:         str 
 103      """ 
 104   
 105      # Initialise. 
 106      text = '' 
 107   
 108      # Loop over the elements, adding the to the list. 
 109      for i in range(len(data)): 
 110          # Add the text. 
 111          text += repr(data[i]) 
 112   
 113          # Comma separators. 
 114          if i < len(data) - 2: 
 115              text += ', ' 
 116   
 117          # Last separator. 
 118          if i == len(data) - 2: 
 119              text += ' and ' 
 120   
 121      # Return the text. 
 122      return text 
 123   
 124   
 125  # Base class for all errors. 
 126  ############################ 
 127   
 128 -class BaseError(Exception): 
 129      """The base class for all RelaxErrors.""" 
 130   
 131 -    def __str__(self): 
 132          """Modify the behaviour of the error system.""" 
 133   
 134          # Save the state if the pedantic flag is turned on. 
 135          from status import Status; status = Status() 
 136          if status.pedantic: 
 137              save_state() 
 138   
 139          # Modify the error message to include 'RelaxError' at the start (using coloured text if a TTY). 
 140          if ansi.enable_control_chars(stream=2): 
 141              return ("%sRelaxError: %s%s\n" % (ansi.relax_error, self.text, ansi.end)) 
 142          else: 
 143              return ("RelaxError: %s\n" % self.text) 
 144   
 145   
 146 -class BaseArgError(BaseError): 
 147      """The base class for all the argument related RelaxErrors.""" 
 148   
 149      # The allowed simple types. 
 150      simple_types = [] 
 151   
 152      # The allowed list types (anything with a size). 
 153      list_types = [] 
 154   
 155   
 156 -    def __init__(self, name, value, size=None): 
 157          """A default initialisation and error message formatting method.""" 
 158   
 159          # The initial part of the message. 
 160          self.text = "The %s argument '%s' must be " % (name, value) 
 161   
 162          # Append the fixed size to the list types. 
 163          if size != None: 
 164              for i in range(len(self.list_types)): 
 165                  self.list_types[i] = self.list_types[i] + " of size %s" % repr(size) 
 166   
 167          # Combine all elements. 
 168          all_types = self.simple_types + self.list_types 
 169   
 170          # Multiple elements. 
 171          if len(all_types) > 1: 
 172              self.text = self.text + "either " 
 173   
 174          # Generate the list string. 
 175          for i in range(len(all_types)): 
 176              # Separators. 
 177              if i > 0: 
 178                  # Or. 
 179                  if i == len(all_types)-1: 
 180                      self.text = self.text + ", or " 
 181   
 182                  # Commas. 
 183                  else: 
 184                      self.text = self.text + ", " 
 185   
 186              # Append the text. 
 187              self.text = self.text + all_types[i] 
 188   
 189          # The end. 
 190          self.text = self.text + "." 
 191   
 192   
 193  # Standard errors. 
 194  ################## 
 195   
 196 -class RelaxError(BaseError): 
 197 -    def __init__(self, text): 
 198          self.text = text 
 199   
 200   
 201  # Module import errors. 
 202  ####################### 
 203   
 204 -class RelaxNoModuleInstallError(BaseError): 
 205 -    def __init__(self, desc, name): 
 206          self.text = "The %s module '%s' cannot be found.  Please check that it is installed." % (desc, name) 
 207   
 208   
 209  # Fault. 
 210  ######## 
 211   
 212 -class RelaxFault(BaseError): 
 213 -    def __init__(self): 
 214          self.text = "Impossible to be here, please re-run relax with the '--debug' flag and summit a bug report at https://web.archive.org/web/https://gna.org/projects/relax/." 
 215   
 216 -    def __str__(self): 
 217          # Save the program state, no matter what. 
 218          save_state() 
 219   
 220          # Modify the error message to include 'RelaxError' at the start. 
 221          return ("RelaxError: " + self.text + "\n") 
 222   
 223   
 224  # Code implementation errors. 
 225  ############################# 
 226   
 227  # Not implemented yet. 
 228 -class RelaxImplementError(BaseError): 
 229 -    def __init__(self, fn_name=None): 
 230          if fn_name: 
 231              self.text = "The %s function has not yet been implemented for the current data pipe." % fn_name 
 232          else: 
 233              self.text = "This has not yet been implemented for the current data pipe." 
 234   
 235   
 236  # Program errors. 
 237  ################# 
 238   
 239  # Cannot locate the program. 
 240 -class RelaxProgError(BaseError): 
 241 -    def __init__(self, name): 
 242          self.text = "The program " + repr(name) + " cannot be found." 
 243   
 244   
 245  # The binary executable file does not exist (full path has been given!). 
 246 -class RelaxMissingBinaryError(BaseError): 
 247 -    def __init__(self, name): 
 248          self.text = "The binary executable file " + repr(name) + " does not exist." 
 249   
 250   
 251  # The binary executable file is not executable. 
 252 -class RelaxNonExecError(BaseError): 
 253 -    def __init__(self, name): 
 254          self.text = "The binary executable file " + repr(name) + " is not executable." 
 255   
 256   
 257  # The binary executable file is not located within the system path. 
 258 -class RelaxNoInPathError(BaseError): 
 259 -    def __init__(self, name): 
 260          self.text = "The binary executable file " + repr(name) + " is not located within the system path." 
 261   
 262   
 263  # Program execution failure. 
 264 -class RelaxProgFailError(BaseError): 
 265 -    def __init__(self, name): 
 266          self.text = "Execution of the program " + name + " has failed." 
 267   
 268   
 269  # PDB errors. 
 270  ############# 
 271   
 272  # PDB data corresponding to the data pipe already exists. 
 273 -class RelaxPdbError(BaseError): 
 274 -    def __init__(self, pipe=None): 
 275          if pipe != None: 
 276              self.text = "PDB data corresponding to the data pipe " + repr(pipe) + " already exists." 
 277          else: 
 278              self.text = "PDB data already exists." 
 279   
 280  # No PDB loaded. 
 281 -class RelaxNoPdbError(BaseError): 
 282 -    def __init__(self, pipe=None): 
 283          if pipe != None: 
 284              self.text = "No PDB file has been loaded for the data pipe " + repr(pipe) + "." 
 285          else: 
 286              self.text = "No PDB file has been loaded." 
 287   
 288  # Loading error. 
 289 -class RelaxPdbLoadError(BaseError): 
 290 -    def __init__(self, name): 
 291          self.text = "The PDB file " + repr(name) + " could not be loaded properly, no molecular chains could be extracted." 
 292   
 293  # Multiple unit vectors. 
 294 -class RelaxMultiVectorError(BaseError): 
 295 -    def __init__(self, spin_id=None): 
 296          if spin_id != None: 
 297              self.text = "The multiple unit XH bond vectors for the spin '%s' - this is not supported by the current data pipe type." % spin_id 
 298          else: 
 299              self.text = "The multiple unit XH bond vectors per spin - this is not supported by the current data pipe type." 
 300   
 301  # No unit vectors. 
 302 -class RelaxNoVectorsError(BaseError): 
 303 -    def __init__(self, pipe=None): 
 304          if pipe: 
 305              self.text = "No unit vectors have been calculated for the data pipe '%s'" % pipe 
 306          else: 
 307              self.text = "No unit vectors have been calculated." 
 308   
 309  # No chains within the PDB file. 
 310 -class RelaxNoPdbChainError(BaseError): 
 311 -    def __init__(self): 
 312          self.text = "No peptide or nucleotide chains can be found within the PDB file." 
 313   
 314   
 315  # Nuclear errors. 
 316  ################# 
 317   
 318  # Nucleus not set. 
 319 -class RelaxNucleusError(BaseError): 
 320 -    def __init__(self, spin_id=None): 
 321          if spin_id != None: 
 322              self.text = "The type of nucleus for the spin '%s' has not yet been set." % spin_id 
 323          else: 
 324              self.text = "The type of nucleus has not yet been set." 
 325   
 326  # Spin type not set. 
 327 -class RelaxSpinTypeError(BaseError): 
 328 -    def __init__(self, spin_id=None): 
 329          if spin_id != None: 
 330              self.text = "The nuclear isotope type for the spin '%s' has not yet been set.  Please use the spin.isotope user function to set the type." % spin_id 
 331          else: 
 332              self.text = "The nuclear isotope type has not yet been set.  Please use the spin.isotope user function to set the type." 
 333   
 334   
 335  # Argument errors. 
 336  ################## 
 337   
 338   
 339  # Misc. 
 340  #~~~~~~ 
 341   
 342  # Invalid argument. 
 343 -class RelaxInvalidError(BaseArgError): 
 344 -    def __init__(self, name, value): 
 345          self.text = "The " + name + " argument " + repr(value) + " is invalid." 
 346   
 347  # Argument not in the list. 
 348 -class RelaxArgNotInListError(BaseArgError): 
 349 -    def __init__(self, name, value, list): 
 350          self.text = "The " + name + " argument " + repr(value) + " is neither " 
 351          for i in range(len(list)-1): 
 352              self.text = self.text + repr(list[i]) + ', ' 
 353          self.text = self.text + 'nor ' + repr(list[-1]) + "." 
 354   
 355  # Length of the list. 
 356 -class RelaxLenError(BaseArgError): 
 357 -    def __init__(self, name, len): 
 358          self.text = "The " + name + " argument must be of length " + repr(len) + "." 
 359   
 360  # None. 
 361 -class RelaxNoneError(BaseArgError): 
 362 -    def __init__(self, name): 
 363          self.text = "The " + name + " argument has not been supplied." 
 364   
 365  # Not None. 
 366 -class RelaxArgNotNoneError(BaseArgError): 
 367 -    def __init__(self, name, value): 
 368          self.text = "The %s argument of '%s' must be None." 
 369   
 370   
 371  # Simple types. 
 372  #~~~~~~~~~~~~~~ 
 373   
 374  # Boolean - the values True and False. 
 375 -class RelaxBoolError(BaseArgError): 
 376      simple_types = [BOOL] 
 377   
 378  # Binary - integers 0 and 1. 
 379 -class RelaxBinError(BaseArgError): 
 380      simple_types = [BIN] 
 381   
 382  # Float. 
 383 -class RelaxFloatError(BaseArgError): 
 384      simple_types = [FLOAT] 
 385   
 386 -class RelaxNoneFloatError(BaseArgError): 
 387      simple_types = [NONE, FLOAT] 
 388   
 389  # Number. 
 390 -class RelaxNumError(BaseArgError): 
 391      simple_types = [NUM] 
 392   
 393 -class RelaxNoneNumError(BaseArgError): 
 394      simple_types = [NONE, NUM] 
 395   
 396  # Function. 
 397 -class RelaxFunctionError(BaseArgError): 
 398      simple_types = [FUNC] 
 399   
 400 -class RelaxNoneFunctionError(BaseArgError): 
 401      simple_types = [NONE, FUNC] 
 402   
 403  # Integer. 
 404 -class RelaxIntError(BaseArgError): 
 405      simple_types = [INT] 
 406   
 407 -class RelaxNoneIntError(BaseArgError): 
 408      simple_types = [NONE, INT] 
 409   
 410  # String. 
 411 -class RelaxStrError(BaseArgError): 
 412      simple_types = [STR] 
 413   
 414 -class RelaxNoneStrError(BaseArgError): 
 415      simple_types = [NONE, STR] 
 416   
 417   
 418  # Simple mixes. 
 419  #~~~~~~~~~~~~~~ 
 420   
 421  # Integer or string. 
 422 -class RelaxIntStrError(BaseArgError): 
 423      simple_types = [INT, STR] 
 424   
 425 -class RelaxNoneIntStrError(BaseArgError): 
 426      simple_types = [NONE, INT, STR] 
 427   
 428  # String or file descriptor. 
 429 -class RelaxStrFileError(BaseArgError): 
 430      simple_types = [STR, FILE] 
 431   
 432 -class RelaxNoneStrFileError(BaseArgError): 
 433      simple_types = [NONE, STR, FILE] 
 434   
 435   
 436  # List types. 
 437  #~~~~~~~~~~~~ 
 438   
 439   
 440  # List. 
 441 -class RelaxListError(BaseArgError): 
 442      list_types = [LIST] 
 443   
 444 -class RelaxNoneListError(BaseArgError): 
 445      simple_types = [NONE] 
 446      list_types = [LIST] 
 447   
 448  # List of floating point numbers. 
 449 -class RelaxListFloatError(BaseArgError): 
 450      list_types = [LIST_FLOAT] 
 451   
 452 -class RelaxNoneListFloatError(BaseArgError): 
 453      list_types = [LIST_FLOAT] 
 454   
 455  # List of floating point numbers or strings. 
 456 -class RelaxListFloatStrError(BaseArgError): 
 457      list_types = [LIST_FLOAT, LIST_STR] 
 458   
 459  # List of integers. 
 460 -class RelaxListIntError(BaseArgError): 
 461      list_types = [LIST_INT] 
 462   
 463  # List of integers. 
 464 -class RelaxNoneListIntError(BaseArgError): 
 465      simple_types = [NONE] 
 466      list_types = [LIST_INT] 
 467   
 468  # List of numbers. 
 469 -class RelaxListNumError(BaseArgError): 
 470      list_types = [LIST_NUM] 
 471   
 472 -class RelaxNoneListNumError(BaseArgError): 
 473      simple_types = [NONE] 
 474      list_types = [LIST_NUM] 
 475   
 476  # List of strings. 
 477 -class RelaxListStrError(BaseArgError): 
 478      list_types = [LIST_STR] 
 479   
 480 -class RelaxNoneListStrError(BaseArgError): 
 481      simple_types = [NONE] 
 482      list_types = [LIST_STR] 
 483   
 484   
 485  # Simple or list types. 
 486  #~~~~~~~~~~~~~~~~~~~~~~ 
 487   
 488  # Float or list. 
 489 -class RelaxNoneFloatListError(BaseArgError): 
 490      simple_types = [NONE, FLOAT] 
 491      list_types = [LIST] 
 492   
 493  # Float, str, or list. 
 494 -class RelaxNoneFloatStrListError(BaseArgError): 
 495      simple_types = [NONE, FLOAT, STR] 
 496      list_types = [LIST] 
 497   
 498  # Integer or list of integers. 
 499 -class RelaxIntListIntError(BaseArgError): 
 500      simple_types = [INT] 
 501      list_types = [LIST_INT] 
 502   
 503 -class RelaxNoneIntListIntError(BaseArgError): 
 504      simple_types = [NONE, INT] 
 505      list_types = [LIST_INT] 
 506   
 507  # Number, string, or list of numbers or strings. 
 508 -class RelaxNumStrListNumStrError(BaseArgError): 
 509      simple_types = [NUM, STR] 
 510      list_types = [LIST_NUM, LIST_STR] 
 511   
 512 -class RelaxNoneNumStrListNumStrError(BaseArgError): 
 513      simple_types = [NONE, NUM, STR] 
 514      list_types = [LIST_NUM, LIST_STR] 
 515   
 516  # String or list. 
 517 -class RelaxNoneStrListError(BaseArgError): 
 518      simple_types = [NONE, STR] 
 519      list_types = [LIST] 
 520   
 521  # String or list of numbers. 
 522 -class RelaxStrListNumError(BaseArgError): 
 523      simple_types = [STR] 
 524      list_types = [LIST_NUM] 
 525   
 526 -class RelaxNoneStrListNumError(BaseArgError): 
 527      simple_types = [NONE, STR] 
 528      list_types = [LIST_NUM] 
 529   
 530  # String or list of strings. 
 531 -class RelaxStrListStrError(BaseArgError): 
 532      simple_types = [STR] 
 533      list_types = [LIST_STR] 
 534   
 535 -class RelaxNoneStrListStrError(BaseArgError): 
 536      simple_types = [NONE, STR] 
 537      list_types = [LIST_STR] 
 538   
 539  # Value or list of values. 
 540 -class RelaxValListValError(BaseArgError): 
 541      simple_types = [VAL] 
 542      list_types = [LIST_VAL] 
 543   
 544 -class RelaxNoneValListValError(BaseArgError): 
 545      simple_types = [NONE, VAL] 
 546      list_types = [LIST_VAL] 
 547   
 548   
 549  # Tuple types. 
 550  #~~~~~~~~~~~~~ 
 551   
 552  # Tuple. 
 553 -class RelaxTupleError(BaseArgError): 
 554      list_types = [TUPLE] 
 555   
 556 -class RelaxNoneTupleError(BaseArgError): 
 557      simple_types = [NONE] 
 558      list_types = [TUPLE] 
 559   
 560  # Tuple of numbers. 
 561 -class RelaxTupleNumError(BaseArgError): 
 562      list_types = [TUPLE_NUM] 
 563   
 564   
 565  # Simple or tuple types. 
 566  #~~~~~~~~~~~~~~~~~~~~~~~ 
 567   
 568  # Number or tuple. 
 569 -class RelaxNumTupleError(BaseArgError): 
 570      simple_types = [NUM] 
 571      list_types = [TUPLE] 
 572   
 573  # Number or tuple of numbers. 
 574 -class RelaxNumTupleNumError(BaseArgError): 
 575      simple_types = [NUM] 
 576      list_types = [TUPLE_NUM] 
 577   
 578 -class RelaxNoneNumTupleNumError(BaseArgError): 
 579      simple_types = [NONE, NUM] 
 580      list_types = [TUPLE_NUM] 
 581   
 582   
 583  # Matrix types. 
 584  #~~~~~~~~~~~~~~ 
 585   
 586  # Matrix of floating point numbers. 
 587 -class RelaxMatrixFloatError(BaseArgError): 
 588      list_types = [MATRIX_FLOAT] 
 589   
 590 -class RelaxNoneMatrixFloatError(BaseArgError): 
 591      list_types = [MATRIX_FLOAT] 
 592   
 593   
 594   
 595  # Sequence errors. 
 596  ################## 
 597   
 598  # No sequence loaded. 
 599 -class RelaxNoSequenceError(BaseError): 
 600 -    def __init__(self, pipe=None): 
 601          if pipe == None: 
 602              self.text = "The sequence data does not exist." 
 603          else: 
 604              self.text = "The sequence data for the data pipe " + repr(pipe) + " does not exist." 
 605   
 606  # The sequence already exists. 
 607 -class RelaxSequenceError(BaseError): 
 608 -    def __init__(self, pipe=None): 
 609          if pipe == None: 
 610              self.text = "The sequence data already exists." 
 611          else: 
 612              self.text = "The sequence data for the data pipe " + repr(pipe) + " already exists." 
 613   
 614  # The two sequences are different. 
 615 -class RelaxDiffSeqError(BaseError): 
 616 -    def __init__(self, pipe1, pipe2): 
 617          self.text = "The sequences for the data pipes " + repr(pipe1) + " and " + repr(pipe2) + " are not the same." 
 618   
 619  # The number of molecules are different. 
 620 -class RelaxDiffMolNumError(BaseError): 
 621 -    def __init__(self, pipe1, pipe2): 
 622          self.text = "The number of molecules do not match between pipes '%s' and '%s'." % (pipe1, pipe2) 
 623   
 624  # The number of residues are different. 
 625 -class RelaxDiffResNumError(BaseError): 
 626 -    def __init__(self, pipe1, pipe2): 
 627          self.text = "The number of residues do not match between pipes '%s' and '%s'." % (pipe1, pipe2) 
 628   
 629  # The number of spins are different. 
 630 -class RelaxDiffSpinNumError(BaseError): 
 631 -    def __init__(self, pipe1, pipe2): 
 632          self.text = "The number of spins do not match between pipes '%s' and '%s'." % (pipe1, pipe2) 
 633   
 634  # Multiple spins matching the ID. 
 635 -class RelaxMultiMolIDError(BaseError): 
 636 -    def __init__(self, id): 
 637          if id == '': 
 638              self.text = "The empty molecule ID corresponds to more than a single molecule in the current data pipe." 
 639          else: 
 640              self.text = "The molecule ID '%s' corresponds to more than a single molecule in the current data pipe." % id 
 641   
 642  # Multiple spins matching the ID. 
 643 -class RelaxMultiResIDError(BaseError): 
 644 -    def __init__(self, id): 
 645          if id == '': 
 646              self.text = "The empty residue ID corresponds to more than a single residue in the current data pipe." 
 647          else: 
 648              self.text = "The residue ID '%s' corresponds to more than a single residue in the current data pipe." % id 
 649   
 650  # Multiple spins matching the ID. 
 651 -class RelaxMultiSpinIDError(BaseError): 
 652 -    def __init__(self, id, id_list=None): 
 653          if id_list != None and id == '': 
 654              self.text = "The empty spin ID corresponds to multiple spins, including %s." % list_to_text(id_list) 
 655          elif id_list == None and id == '': 
 656              self.text = "The empty spin ID corresponds to more than a single spin in the current data pipe." 
 657          elif id_list != None: 
 658              self.text = "The spin ID '%s' corresponds to multiple spins, including %s." % (id, list_to_text(id_list)) 
 659          else: 
 660              self.text = "The spin ID '%s' corresponds to more than a single spin in the current data pipe." % id 
 661   
 662  # Cannot find the residue in the sequence. 
 663 -class RelaxNoResError(BaseError): 
 664 -    def __init__(self, number, name=None): 
 665          if name == None: 
 666              self.text = "The residue '" + repr(number) + "' cannot be found in the sequence." 
 667          else: 
 668              self.text = "The residue '" + repr(number) + " " + name + "' cannot be found in the sequence." 
 669   
 670  # Cannot find the spin in the sequence. 
 671 -class RelaxNoSpinError(BaseError): 
 672 -    def __init__(self, id, pipe=None): 
 673          if pipe == None: 
 674              self.text = "The spin '%s' does not exist." % id 
 675          else: 
 676              self.text = "The spin '%s' does not exist in the '%s' data pipe." % (id, pipe) 
 677   
 678  # The sequence data is not valid. 
 679 -class RelaxInvalidSeqError(BaseError): 
 680 -    def __init__(self, line, problem=None): 
 681          if problem == None: 
 682              self.text = "The sequence data in the line %s is invalid." % line 
 683          else: 
 684              self.text = "The sequence data in the line %s is invalid, %s." % (line, problem) 
 685   
 686  # The spins have not been loaded 
 687 -class RelaxSpinsNotLoadedError(BaseError): 
 688 -    def __init__(self, spin_id): 
 689          self.text = "The spin information for the spin " + repr(spin_id) + " has not yet been loaded, please use the structure.load_spins user function." 
 690   
 691   
 692  # Interatomic data errors. 
 693  ########################## 
 694   
 695  # No interatomic data. 
 696 -class RelaxNoInteratomError(BaseError): 
 697 -    def __init__(self, spin_id1=None, spin_id2=None, pipe=None): 
 698          if spin_id1 and pipe: 
 699              self.text = "The interatomic data between the spins '%s' and '%s' for the data pipe '%s' does not exist." % (spin_id1, spin_id2, pipe) 
 700          elif spin_id1: 
 701              self.text = "The interatomic data between the spins '%s' and '%s' does not exist." % (spin_id1, spin_id2) 
 702          elif pipe: 
 703              self.text = "The interatomic data for the data pipe '%s' does not exist." % pipe 
 704          else: 
 705              self.text = "The interatomic data does not exist." 
 706   
 707  # The interatomic data already exists. 
 708 -class RelaxInteratomError(BaseError): 
 709 -    def __init__(self, pipe=None): 
 710          if pipe == None: 
 711              self.text = "The interatomic data already exists." 
 712          else: 
 713              self.text = "The interatomic data for the data pipe " + repr(pipe) + " already exists." 
 714   
 715  # Inconsistency in the interatomic data. 
 716 -class RelaxInteratomInconsistentError(BaseError): 
 717 -    def __init__(self, pipe1, pipe2): 
 718          self.text = "The interatomic data is inconsistent between the data pipes '%s' and '%s'." % (pipe1, pipe2) 
 719   
 720   
 721   
 722  # Spectral data errors. 
 723  ####################### 
 724   
 725  # No spectral data. 
 726 -class RelaxNoSpectraError(BaseError): 
 727 -    def __init__(self, spectrum_id): 
 728          self.text = "Spectral data corresponding to the ID string '%s' does not exist." % spectrum_id 
 729   
 730  # Spectral data already exists. 
 731 -class RelaxSpectraError(BaseError): 
 732 -    def __init__(self, spectrum_id): 
 733          self.text = "Spectral data corresponding to the ID string '%s' already exists." % spectrum_id 
 734   
 735   
 736  # Relaxation data errors. 
 737  ######################### 
 738   
 739  # No relaxation data. 
 740 -class RelaxNoRiError(BaseError): 
 741 -    def __init__(self, ri_id): 
 742          self.text = "Relaxation data corresponding to the ID string '%s' does not exist." % ri_id 
 743   
 744  # Relaxation data already exists. 
 745 -class RelaxRiError(BaseError): 
 746 -    def __init__(self, ri_id): 
 747          self.text = "Relaxation data corresponding to the ID string '%s' already exists." % ri_id 
 748   
 749   
 750  # RDC and PCS data errors. 
 751  ########################## 
 752   
 753  # No alignment data. 
 754 -class RelaxNoAlignError(BaseError): 
 755 -    def __init__(self, align_id, pipe=None): 
 756          if pipe != None: 
 757              self.text = "The alignment ID string '%s' is missing from the data pipe '%s'." % (align_id, pipe) 
 758          else: 
 759              self.text = "The alignment ID string '%s' is missing." % align_id 
 760   
 761  # Alignment data already exists. 
 762 -class RelaxAlignError(BaseError): 
 763 -    def __init__(self, align_id): 
 764          self.text = "Alignment data corresponding to the ID string '%s' already exists." % align_id 
 765   
 766  # No RDC data. 
 767 -class RelaxNoRDCError(BaseError): 
 768 -    def __init__(self, id=None): 
 769          if id: 
 770              self.text = "RDC data corresponding to the identification string " + repr(id) + " does not exist." 
 771          else: 
 772              self.text = "No RDC data exists." 
 773   
 774  # RDC data already exists. 
 775 -class RelaxRDCError(BaseError): 
 776 -    def __init__(self, id): 
 777          self.text = "RDC data corresponding to the identification string " + repr(id) + " already exists." 
 778   
 779  # No PCS data. 
 780 -class RelaxNoPCSError(BaseError): 
 781 -    def __init__(self, id=None): 
 782          if id: 
 783              self.text = "PCS data corresponding to the identification string " + repr(id) + " does not exist." 
 784          else: 
 785              self.text = "No PCS data exists." 
 786   
 787  # PCS data already exists. 
 788 -class RelaxPCSError(BaseError): 
 789 -    def __init__(self, id): 
 790          self.text = "PCS data corresponding to the identification string " + repr(id) + " already exists." 
 791   
 792   
 793  # Model-free errors. 
 794  #################### 
 795   
 796  # Model-free data already exists. 
 797 -class RelaxMfError(BaseError): 
 798 -    def __init__(self, pipe): 
 799          self.text = "Model-free data corresponding to the data pipe " + repr(pipe) + " already exists." 
 800   
 801   
 802  # Tensor errors. 
 803  ################ 
 804   
 805  # Tensor data corresponding to the data pipe already exists. 
 806 -class RelaxTensorError(BaseError): 
 807 -    def __init__(self, tensor_type): 
 808          self.text = "The " + tensor_type + " tensor data already exists." 
 809   
 810  # No tensor data exists. 
 811 -class RelaxNoTensorError(BaseError): 
 812 -    def __init__(self, tensor_type, tensor_label=None): 
 813          if not tensor_label: 
 814              self.text = "No " + tensor_type + " tensor data exists." 
 815          else: 
 816              self.text = "No " + tensor_type + " tensor data exists for the tensor " + repr(tensor_label) + "." 
 817   
 818   
 819  # File errors. 
 820  ############## 
 821   
 822  # No directory. 
 823 -class RelaxDirError(BaseError): 
 824 -    def __init__(self, name, dir): 
 825          if name == None: 
 826              self.text = "The directory " + repr(dir) + " does not exist." 
 827          else: 
 828              self.text = "The " + name + " directory " + repr(dir) + " does not exist." 
 829   
 830  # No file. 
 831 -class RelaxFileError(BaseError): 
 832 -    def __init__(self, name, file_name=None): 
 833          if file_name == None: 
 834              self.text = "The file " + repr(name) + " does not exist." 
 835          else: 
 836              self.text = "The " + name + " file " + repr(file_name) + " does not exist." 
 837   
 838  # No data in file. 
 839 -class RelaxFileEmptyError(BaseError): 
 840 -    def __init__(self): 
 841          self.text = "The file contains no data." 
 842   
 843  # Overwrite file. 
 844 -class RelaxFileOverwriteError(BaseError): 
 845 -    def __init__(self, file_name, flag): 
 846          self.text = "The file " + repr(file_name) + " already exists.  Set the " + flag + " to True to overwrite." 
 847   
 848  # Invalid data format. 
 849 -class RelaxInvalidDataError(BaseError): 
 850 -    def __init__(self): 
 851          self.text = "The format of the data is invalid." 
 852   
 853   
 854  # Data pipe errors. 
 855  ################### 
 856   
 857  # The data pipe bundle already exists. 
 858 -class RelaxBundleError(BaseError): 
 859 -    def __init__(self, bundle): 
 860          self.text = "The data pipe bundle '%s' already exists." % bundle 
 861   
 862  # No data pipe bundles exist. 
 863 -class RelaxNoBundleError(BaseError): 
 864 -    def __init__(self, bundle=None): 
 865          if bundle != None: 
 866              self.text = "The data pipe bundle '%s' has not been created yet." % bundle 
 867          else: 
 868              self.text = "No data pipe bundles currently exist.  Please use the pipe.bundle user function first." 
 869   
 870  # The data pipe already exists. 
 871 -class RelaxPipeError(BaseError): 
 872 -    def __init__(self, pipe): 
 873          self.text = "The data pipe " + repr(pipe) + " already exists." 
 874   
 875  # No data pipe exists. 
 876 -class RelaxNoPipeError(BaseError): 
 877 -    def __init__(self, pipe=None): 
 878          if pipe != None: 
 879              self.text = "The data pipe " + repr(pipe) + " has not been created yet." 
 880          else: 
 881              self.text = "No data pipes currently exist.  Please use the pipe.create user function first." 
 882   
 883   
 884  # Spin-Residue-Molecule errors. 
 885  ############################### 
 886   
 887  # Disallow molecule selection. 
 888 -class RelaxMolSelectDisallowError(BaseError): 
 889 -    def __init__(self): 
 890          self.text = "The selection of molecules is not allowed." 
 891   
 892  # Disallow residue selection. 
 893 -class RelaxResSelectDisallowError(BaseError): 
 894 -    def __init__(self): 
 895          self.text = "The selection of residues is not allowed." 
 896   
 897  # Disallow spin selection. 
 898 -class RelaxSpinSelectDisallowError(BaseError): 
 899 -    def __init__(self): 
 900          self.text = "The selection of spin systems is not allowed." 
 901   
 902  # The spin must be specified. 
 903 -class RelaxNoSpinSpecError(BaseError): 
 904 -    def __init__(self): 
 905          self.text = "The spin system must be specified." 
 906   
 907   
 908   
 909  # Setup errors. 
 910  ############### 
 911   
 912  # Cannot setup the functions. 
 913 -class RelaxFuncSetupError(BaseError): 
 914 -    def __init__(self, string): 
 915          self.text = "This function is not available for " + string + "." 
 916   
 917  # The model already exists. 
 918 -class RelaxModelError(BaseError): 
 919 -    def __init__(self, name=None): 
 920          if name != None: 
 921              self.text = "The " + name + " model already exists." 
 922          else: 
 923              self.text = "The model already exists." 
 924   
 925   
 926  # The model has not been setup. 
 927 -class RelaxNoModelError(BaseError): 
 928 -    def __init__(self, name=None): 
 929          if name != None: 
 930              self.text = "The specific " + name + " model has not been selected or set up." 
 931          else: 
 932              self.text = "The specific model has not been selected or set up." 
 933   
 934   
 935  # Regular expression errors. 
 936  ############################ 
 937   
 938  # Bad regular expression. 
 939 -class RelaxRegExpError(BaseError): 
 940 -    def __init__(self, name, value): 
 941          self.text = "The " + name + " argument " + repr(value) + " is not valid regular expression." 
 942   
 943   
 944  # Data type errors. 
 945  ################### 
 946   
 947  # Parameter cannot be set. 
 948 -class RelaxParamSetError(BaseError): 
 949 -    def __init__(self, name, param_type=None): 
 950          if param_type != None: 
 951              self.text = "The " + name + " parameter, " + repr(param_type) + ", cannot be set." 
 952          else: 
 953              self.text = "The " + name + " parameter cannot be set." 
 954   
 955  # Value already exists. 
 956 -class RelaxValueError(BaseError): 
 957 -    def __init__(self, data_type, pipe=None): 
 958          if pipe != None: 
 959              self.text = "The data type " + repr(data_type) + " already exists for the data pipe " + repr(pipe) + "." 
 960          else: 
 961              self.text = "The data type " + repr(data_type) + " already exists." 
 962   
 963  # No data value. 
 964 -class RelaxNoValueError(BaseError): 
 965 -    def __init__(self, name, spin_id=None, spin_id2=None): 
 966          if spin_id2 != None: 
 967              self.text = "The %s value has not yet been set for spins '%s' and '%s'." % (name, spin_id, spin_id2) 
 968          elif spin_id != None: 
 969              self.text = "The %s value has not yet been set for spin '%s'." % (name, spin_id) 
 970          else: 
 971              self.text = "The " + repr(name) + " value has not yet been set." 
 972   
 973  # Unknown data type. 
 974 -class RelaxUnknownDataTypeError(BaseError): 
 975 -    def __init__(self, name): 
 976          self.text = "The data type " + repr(name) + " is unknown." 
 977   
 978  # Unknown parameter. 
 979 -class RelaxUnknownParamError(BaseError): 
 980 -    def __init__(self, name, param_type=None): 
 981          if param_type != None: 
 982              self.text = "The " + name + " parameter, " + repr(param_type) + ", is unknown." 
 983          else: 
 984              self.text = "The " + name + " parameter is unknown." 
 985   
 986  # Unknown parameter combination. 
 987 -class RelaxUnknownParamCombError(BaseError): 
 988 -    def __init__(self, name, data): 
 989          self.text = "The " + repr(name) + " argument " + repr(data) + " represents an unknown parameter combination." 
 990   
 991   
 992  # Simulation errors. 
 993  #################### 
 994   
 995  # No simulations. 
 996 -class RelaxNoSimError(BaseError): 
 997 -    def __init__(self, pipe=None): 
 998          if pipe: 
 999              self.text = "Simulations for the data pipe " + repr(pipe) + " have not been setup." 
1000          else: 
1001              self.text = "Simulations have not been setup." 
1002   
1003   
1004  # Style errors. 
1005  ############### 
1006   
1007  # Unknown style. 
1008 -class RelaxStyleError(BaseError): 
1009 -    def __init__(self, style): 
1010          self.text = "The style " + repr(style) + " is unknown." 
1011   
1012   
1013  # Colour errors. 
1014  ################ 
1015   
1016  # Invalid colour. 
1017 -class RelaxInvalidColourError(BaseError): 
1018 -    def __init__(self, colour): 
1019          self.text = "The colour " + repr(colour) + " is invalid." 
1020   
1021   
1022  # Value errors. 
1023  ############### 
1024   
1025  # Infinity. 
1026 -class RelaxInfError(BaseError): 
1027 -    def __init__(self, name): 
1028          self.text = "The invalid " + name + " floating point value of infinity has occurred." 
1029   
1030  # NaN (Not a Number). 
1031 -class RelaxNaNError(BaseError): 
1032 -    def __init__(self, name): 
1033          self.text = "The invalid " + name + " floating point value of NaN (Not a Number) has occurred." 
1034   
1035   
1036  # XML errors. 
1037  ############# 
1038   
1039  # Cannot recreate from the XML - the structure is not empty. 
1040 -class RelaxFromXMLNotEmptyError(BaseError): 
1041 -    def __init__(self, name): 
1042          self.text = "The " + name + " data structure cannot be recreated from the XML elements as the structure is not empty." 
1043   
1044   
1045   
1046  # An object of all the RelaxErrors. 
1047  ################################### 
1048   
1049  # Function for setting up the AllRelaxErrors object. 
1050 -def all_errors(names): 
1051      """Function for returning all the RelaxErrors to allow the AllRelaxError object to be created.""" 
1052   
1053      # Empty list. 
1054      list = [] 
1055   
1056      # Loop over all objects of this module. 
1057      for name in names: 
1058          # Get the object. 
1059          object = globals()[name] 
1060   
1061          # Skip over all non error class objects. 
1062          if not (isinstance(object, type(RelaxError)) or isinstance(object, type(type))) or not match('Relax', name): 
1063              continue 
1064   
1065          # Append to the list. 
1066          list.append(object) 
1067   
1068      # Return the list of RelaxErrors 
1069      return list 
1070   
1071  # Initialise the AllRelaxErrors structure, as a tuple for the except statements, so it can be imported. 
1072  AllRelaxErrors = tuple(all_errors(dir())) 
1073