gui.components.spectrum

58 """The GUI element for listing loaded spectral data.""" 59

60 - def __init__(self, gui=None, parent=None, box=None, id=None, fn_add=None, proportion=0, button_placement='default', noe_flag=False, relax_fit_flag=False, relax_disp_flag=False):

61 """Build the spectral list GUI element. 62 63 @keyword gui: The main GUI object. 64 @type gui: wx.Frame instance 65 @keyword parent: The parent GUI element that this is to be attached to (the panel object). 66 @type parent: wx object 67 @keyword data: The data storage container. 68 @type data: class instance 69 @keyword box: The vertical box sizer to pack this GUI component into. 70 @type box: wx.BoxSizer instance 71 @keyword id: A unique identification string. This is used to register the update method with the GUI user function observer object. 72 @type id: str 73 @keyword fn_add: The function to execute when clicking on the 'Add' button. 74 @type fn_add: func 75 @keyword proportion: The window proportion parameter. 76 @type proportion: bool 77 @keyword button_placement: Override the button visibility and placement. The value of 'default' will leave the buttons at the default setting. The value of 'top' will place the buttons at the top, 'bottom' will place them at the bottom, and None will turn off the buttons. 78 @type button_placement: str or None 79 @keyword noe_flag: A flag which when True will enable the steady-state NOE portions of the wizard. 80 @type noe_flag: bool 81 @keyword relax_fit_flag: A flag which when True will enable the relaxation curve-fitting portions of the wizard. 82 @type relax_fit_flag: bool 83 @keyword relax_disp_flag: A flag which when True will enable the relaxation dispersion portions of the wizard. 84 @type relax_disp_flag: bool 85 """ 86 87 # Store the arguments. 88 self.fn_add = fn_add 89 self.noe_flag = noe_flag 90 self.relax_fit_flag = relax_fit_flag 91 self.relax_disp_flag = relax_disp_flag 92 93 # Initialise the base class. 94 super(Spectra_list, self).__init__(gui=gui, parent=parent, box=box, id=id, proportion=proportion, button_placement=button_placement)

95 96

97 - def action_relax_disp_cpmg_setup(self, event=None, item=None):

98 """Launch the relax_disp.cpmg_setup user function. 99 100 @keyword event: The wx event. 101 @type event: wx event 102 @keyword item: This is for debugging purposes only, to allow the GUI tests to select items without worrying about OS dependent wxPython bugs. 103 @type item: None or int 104 """ 105 106 # The current selection. 107 if item == None: 108 item = self.element.GetFirstSelected() 109 110 # The spectrum ID. 111 id = gui_to_str(self.element.GetItemText(item)) 112 113 # The current frequency. 114 frq = None 115 frq_flag = False 116 if hasattr(cdp, 'cpmg_frqs') and id in cdp.cpmg_frqs: 117 frq = cdp.cpmg_frqs[id] 118 frq_flag = True 119 120 # The current ncyc_even flag. 121 even = True 122 even_flag = False 123 if hasattr(cdp, 'ncyc_even') and id in cdp.ncyc_even: 124 even = cdp.ncyc_even[id] 125 even_flag = True 126 127 # Launch the dialog. 128 if frq_flag: 129 uf_store['relax_disp.cpmg_setup'](spectrum_id=id, cpmg_frq=frq, ncyc_even=even) 130 else: 131 uf_store['relax_disp.cpmg_setup'](spectrum_id=id, ncyc_even=even)

132 133

134 - def action_relax_disp_exp_type(self, event=None, item=None):

135 """Launch the relax_disp.exp_type user function. 136 137 @keyword event: The wx event. 138 @type event: wx event 139 @keyword item: This is for debugging purposes only, to allow the GUI tests to select items without worrying about OS dependent wxPython bugs. 140 @type item: None or int 141 """ 142 143 # The current selection. 144 if item == None: 145 item = self.element.GetFirstSelected() 146 147 # The spectrum ID. 148 id = gui_to_str(self.element.GetItemText(item)) 149 150 # The current type. 151 exp_type = None 152 if hasattr(cdp, 'exp_type') and id in cdp.exp_type: 153 exp_type = cdp.exp_type[id] 154 155 # Launch the dialog. 156 if exp_type == None: 157 uf_store['relax_disp.exp_type'](spectrum_id=id) 158 else: 159 uf_store['relax_disp.exp_type'](spectrum_id=id, exp_type=exp_type)

160 161

162 - def action_relax_disp_relax_time(self, event=None, item=None):

163 """Launch the relax_disp.relax_time user function. 164 165 @keyword event: The wx event. 166 @type event: wx event 167 @keyword item: This is for debugging purposes only, to allow the GUI tests to select items without worrying about OS dependent wxPython bugs. 168 @type item: None or int 169 """ 170 171 # The current selection. 172 if item == None: 173 item = self.element.GetFirstSelected() 174 175 # The spectrum ID. 176 id = gui_to_str(self.element.GetItemText(item)) 177 178 # The current time. 179 time = None 180 if hasattr(cdp, 'relax_times') and id in cdp.relax_times: 181 time = cdp.relax_times[id] 182 183 # Launch the dialog. 184 if time == None: 185 uf_store['relax_disp.relax_time'](spectrum_id=id) 186 else: 187 uf_store['relax_disp.relax_time'](time=time, spectrum_id=id)

188 189

190 - def action_relax_disp_spin_lock_field(self, event=None, item=None):

191 """Launch the relax_disp.spin_lock_field user function. 192 193 @keyword event: The wx event. 194 @type event: wx event 195 @keyword item: This is for debugging purposes only, to allow the GUI tests to select items without worrying about OS dependent wxPython bugs. 196 @type item: None or int 197 """ 198 199 # The current selection. 200 if item == None: 201 item = self.element.GetFirstSelected() 202 203 # The spectrum ID. 204 id = gui_to_str(self.element.GetItemText(item)) 205 206 # The spin-lock. 207 nu1 = None 208 nu1_flag = False 209 if hasattr(cdp, 'spin_lock_nu1') and id in cdp.spin_lock_nu1: 210 nu1 = cdp.spin_lock_nu1[id] 211 nu1_flag = True 212 213 # Launch the dialog. 214 if nu1_flag: 215 uf_store['relax_disp.spin_lock_field'](field=nu1, spectrum_id=id) 216 else: 217 uf_store['relax_disp.spin_lock_field'](spectrum_id=id)

218 219

220 - def action_relax_disp_spin_lock_offset(self, event=None, item=None):

221 """Launch the relax_disp.spin_lock_offset user function. 222 223 @keyword event: The wx event. 224 @type event: wx event 225 @keyword item: This is for debugging purposes only, to allow the GUI tests to select items without worrying about OS dependent wxPython bugs. 226 @type item: None or int 227 """ 228 229 # The current selection. 230 if item == None: 231 item = self.element.GetFirstSelected() 232 233 # The spectrum ID. 234 id = gui_to_str(self.element.GetItemText(item)) 235 236 # The offset. 237 offset = None 238 offset_flag = False 239 if hasattr(cdp, 'spin_lock_offset') and id in cdp.spin_lock_offset: 240 offset = cdp.spin_lock_offset[id] 241 offset_flag = True 242 243 # Launch the dialog. 244 if offset_flag: 245 uf_store['relax_disp.spin_lock_offset'](offset=offset, spectrum_id=id) 246 else: 247 uf_store['relax_disp.spin_lock_offset'](spectrum_id=id)

248 249

250 - def action_relax_fit_relax_time(self, event=None, item=None):

251 """Launch the relax_fit.relax_time user function. 252 253 @keyword event: The wx event. 254 @type event: wx event 255 @keyword item: This is for debugging purposes only, to allow the GUI tests to select items without worrying about OS dependent wxPython bugs. 256 @type item: None or int 257 """ 258 259 # The current selection. 260 if item == None: 261 item = self.element.GetFirstSelected() 262 263 # The spectrum ID. 264 id = gui_to_str(self.element.GetItemText(item)) 265 266 # The current time. 267 time = None 268 if hasattr(cdp, 'relax_times') and id in cdp.relax_times: 269 time = cdp.relax_times[id] 270 271 # Launch the dialog. 272 if time == None: 273 uf_store['relax_fit.relax_time'](spectrum_id=id) 274 else: 275 uf_store['relax_fit.relax_time'](time=time, spectrum_id=id)

276 277

278 - def action_spectrometer_frq(self, event=None, item=None):

279 """Launch the spectrometer.frequency user function. 280 281 @keyword event: The wx event. 282 @type event: wx event 283 @keyword item: This is for debugging purposes only, to allow the GUI tests to select items without worrying about OS dependent wxPython bugs. 284 @type item: None or int 285 """ 286 287 # The current selection. 288 if item == None: 289 item = self.element.GetFirstSelected() 290 291 # The spectrum ID. 292 id = gui_to_str(self.element.GetItemText(item)) 293 294 # The current frequency. 295 frq = None 296 if hasattr(cdp, 'spectrometer_frq') and id in cdp.spectrometer_frq: 297 frq = cdp.spectrometer_frq[id] 298 299 # Launch the dialog. 300 if frq == None: 301 uf_store['spectrometer.frequency'](id=id) 302 else: 303 uf_store['spectrometer.frequency'](frq=frq, id=id)

304 305

306 - def action_spectrum_baseplane_rmsd(self, event):

307 """Launch the spectrum.baseplane_rmsd user function. 308 309 @param event: The wx event. 310 @type event: wx event 311 """ 312 313 # The current selection. 314 item = self.element.GetFirstSelected() 315 316 # The spectrum ID. 317 id = gui_to_str(self.element.GetItemText(item)) 318 319 # Launch the dialog. 320 uf_store['spectrum.baseplane_rmsd'](spectrum_id=id)

321 322

323 - def action_spectrum_delete(self, event):

324 """Launch the spectrum.delete user function. 325 326 @param event: The wx event. 327 @type event: wx event 328 """ 329 330 # The current selection. 331 item = self.element.GetFirstSelected() 332 333 # No selection. 334 if item == -1: 335 id = None 336 337 # Selected item. 338 else: 339 # The spectrum ID. 340 id = gui_to_str(self.element.GetItemText(item)) 341 342 # Launch the dialog. 343 uf_store['spectrum.delete'](spectrum_id=id)

344 345

346 - def action_spectrum_error_analysis(self, event):

347 """Launch the spectrum.error_analysis user function. 348 349 @param event: The wx event. 350 @type event: wx event 351 """ 352 353 # The first item selected. 354 item = self.element.GetFirstSelected() 355 356 # Loop over the additional selections. 357 ids = [] 358 while True: 359 # No selection. 360 if item == -1: 361 break 362 363 # Add the ID string to the list. 364 ids.append(gui_to_str(self.element.GetItemText(item))) 365 366 # Get the next selected item. 367 item = self.element.GetNextSelected(item) 368 369 # No selected items. 370 if not len(ids): 371 ids = None 372 373 # Launch the dialog. 374 uf_store['spectrum.error_analysis'](subset=ids, wx_wizard_modal=True) 375 376 # Display the relax controller, and go to the end of the log window. 377 self.gui.show_controller(None) 378 self.gui.controller.log_panel.on_goto_end(None)

379 380

381 - def action_spectrum_integration_points(self, event):

382 """Launch the spectrum.integration_points user function. 383 384 @param event: The wx event. 385 @type event: wx event 386 """ 387 388 # The current selection. 389 item = self.element.GetFirstSelected() 390 391 # The spectrum ID. 392 id = gui_to_str(self.element.GetItemText(item)) 393 394 # Launch the dialog. 395 uf_store['spectrum.integration_points'](spectrum_id=id)

396 397

398 - def action_spectrum_replicated(self, event=None, item=None):

399 """Launch the spectrum.replicated user function. 400 401 @keyword event: The wx event. 402 @type event: wx event 403 @keyword item: This is for debugging purposes only, to allow the GUI tests to select items without worrying about OS dependent wxPython bugs. 404 @type item: None or int 405 """ 406 407 # No elements in the list. 408 if not self.element.GetItemCount(): 409 return 410 411 # The current selection. 412 if item == None: 413 item = self.element.GetFirstSelected() 414 415 # The spectrum ID. 416 id = gui_to_str(self.element.GetItemText(item)) 417 418 # The current replicates. 419 replicates = replicated_ids(id) 420 421 # Launch the dialog. 422 if replicates == []: 423 uf_store['spectrum.replicated'](spectrum_ids=id) 424 else: 425 uf_store['spectrum.replicated'](spectrum_ids=replicates)

426 427

428 - def add_disp_point(self, index):

429 """Add the dispersion point info to the element. 430 431 This is either the CPMG pulse frequency or the spin-lock field strength. Both share the same column. 432 433 @param index: The column index for the data. 434 @type index: int 435 @return: True if the data exists, False otherwise. 436 @rtype: bool 437 """ 438 439 # Append a column. 440 self.element.InsertColumn(index, u("\u03BDCPMG (Hz) or Spin-lock \u03BD1 (Hz)")) 441 442 # No data. 443 if not hasattr(cdp, 'spectrum_ids'): 444 return True 445 446 # Set the values. 447 for i in range(len(cdp.spectrum_ids)): 448 # Set the CPMG frequency. 449 if hasattr(cdp, 'cpmg_frqs') and cdp.spectrum_ids[i] in cdp.cpmg_frqs: 450 if dep_check.wx_classic: 451 self.element.SetStringItem(i, index, float_to_gui(cdp.cpmg_frqs[cdp.spectrum_ids[i]])) 452 else: 453 self.element.SetItem(i, index, float_to_gui(cdp.cpmg_frqs[cdp.spectrum_ids[i]])) 454 455 # Set the spin-lock field strength. 456 if hasattr(cdp, 'spin_lock_nu1') and cdp.spectrum_ids[i] in cdp.spin_lock_nu1: 457 if dep_check.wx_classic: 458 self.element.SetStringItem(i, index, float_to_gui(cdp.spin_lock_nu1[cdp.spectrum_ids[i]])) 459 else: 460 self.element.SetItem(i, index, float_to_gui(cdp.spin_lock_nu1[cdp.spectrum_ids[i]])) 461 462 # Successful. 463 return True

464 465

466 - def add_exp_type(self, index):

467 """Add the experiment type info to the element. 468 469 @param index: The column index for the data. 470 @type index: int 471 @return: True if the data exists, False otherwise. 472 @rtype: bool 473 """ 474 475 # Append a column. 476 self.element.InsertColumn(index, u("Experiment type")) 477 478 # No data. 479 if not hasattr(cdp, 'spectrum_ids') or not hasattr(cdp, 'exp_type'): 480 return True 481 482 # Set the values. 483 for i in range(len(cdp.spectrum_ids)): 484 # No value. 485 if cdp.spectrum_ids[i] not in cdp.exp_type: 486 continue 487 488 # Set the value. 489 if dep_check.wx_classic: 490 self.element.SetStringItem(i, index, float_to_gui(cdp.exp_type[cdp.spectrum_ids[i]])) 491 else: 492 self.element.SetItem(i, index, float_to_gui(cdp.exp_type[cdp.spectrum_ids[i]])) 493 494 # Successful. 495 return True

496 497

498 - def add_frqs(self, index):

499 """Add the spectrometer frequency info to the element. 500 501 @param index: The column index for the data. 502 @type index: int 503 @return: True if the frequency data exists, False otherwise. 504 @rtype: bool 505 """ 506 507 # Append a column. 508 self.element.InsertColumn(index, u("\u03C9H (MHz)")) 509 510 # No data. 511 if not hasattr(cdp, 'spectrum_ids'): 512 return True 513 if not hasattr(cdp, 'spectrometer_frq') or not len(cdp.spectrometer_frq): 514 return True 515 516 # Set the values. 517 for i in range(len(cdp.spectrum_ids)): 518 # No value. 519 if cdp.spectrum_ids[i] not in cdp.spectrometer_frq: 520 continue 521 522 # Set the value (in MHz). 523 if dep_check.wx_classic: 524 self.element.SetStringItem(i, index, float_to_gui(cdp.spectrometer_frq[cdp.spectrum_ids[i]]/1e6)) 525 else: 526 self.element.SetItem(i, index, float_to_gui(cdp.spectrometer_frq[cdp.spectrum_ids[i]]/1e6)) 527 528 # Successful. 529 return True

530 531

532 - def add_offset(self, index):

533 """Add the offset info to the element. 534 535 @param index: The column index for the data. 536 @type index: int 537 @return: True if the data exists, False otherwise. 538 @rtype: bool 539 """ 540 541 # Append a column. 542 self.element.InsertColumn(index, u("Offset \u03C9_rf (ppm)")) 543 544 # No data. 545 if not hasattr(cdp, 'spectrum_ids'): 546 return True 547 548 # Set the values. 549 for i in range(len(cdp.spectrum_ids)): 550 if hasattr(cdp, 'spin_lock_offset') and cdp.spectrum_ids[i] in cdp.spin_lock_offset: 551 if dep_check.wx_classic: 552 self.element.SetStringItem(i, index, float_to_gui(cdp.spin_lock_offset[cdp.spectrum_ids[i]])) 553 else: 554 self.element.SetItem(i, index, float_to_gui(cdp.spin_lock_offset[cdp.spectrum_ids[i]])) 555 556 # Successful. 557 return True

558 559

560 - def generate_popup_menu(self, id=None):

561 """Create the popup menu. 562 563 @keyword id: The spectrum ID string for the row that was clicked on. 564 @type id: str 565 @return: The popup menu. 566 @rtype: list of dict of wxID, str, str, method 567 """ 568 569 # The right click popup menu. 570 popup_menus = [ 571 { 572 'id': MENU_SPECTRUM_BASEPLANE_RMSD, 573 'text': "Set the &baseplane RMSD", 574 'icon': fetch_icon(uf_info.get_uf('spectrum.baseplane_rmsd').gui_icon), 575 'method': self.action_spectrum_baseplane_rmsd 576 }, { 577 'id': MENU_SPECTRUM_DELETE, 578 'text': "&Delete the peak intensities", 579 'icon': fetch_icon(uf_info.get_uf('spectrum.delete').gui_icon), 580 'method': self.action_spectrum_delete 581 }, { 582 'id': MENU_SPECTRUM_INTEGRATION_POINTS, 583 'text': "Set the number of integration &points", 584 'icon': fetch_icon(uf_info.get_uf('spectrum.integration_points').gui_icon), 585 'method': self.action_spectrum_integration_points 586 }, { 587 'id': MENU_SPECTRUM_REPLICATED, 588 'text': "Specify which spectra are &replicated", 589 'icon': fetch_icon(uf_info.get_uf('spectrum.replicated').gui_icon), 590 'method': self.action_spectrum_replicated 591 } 592 ] 593 if self.relax_disp_flag: 594 popup_menus.append({ 595 'id': MENU_RELAX_DISP_EXP_TYPE, 596 'text': "Set the &experiment type", 597 'icon': None, 598 'method': self.action_relax_disp_exp_type 599 }) 600 if self.relax_fit_flag: 601 popup_menus.append({ 602 'id': MENU_RELAX_FIT_RELAX_TIME, 603 'text': "Set the relaxation &time", 604 'icon': fetch_icon(uf_info.get_uf('relax_fit.relax_time').gui_icon), 605 'method': self.action_relax_fit_relax_time 606 }) 607 if self.relax_disp_flag: 608 popup_menus.append({ 609 'id': MENU_RELAX_DISP_RELAX_TIME, 610 'text': "Set the relaxation &time", 611 'icon': fetch_icon(uf_info.get_uf('relax_disp.relax_time').gui_icon), 612 'method': self.action_relax_disp_relax_time 613 }) 614 popup_menus.append({ 615 'id': MENU_SPECTROMETER_FRQ, 616 'text': "Set the spectrometer &frequency", 617 'icon': fetch_icon("relax.spectrometer"), 618 'method': self.action_spectrometer_frq 619 }) 620 if self.relax_disp_flag and is_r1rho_exp_type(id): 621 popup_menus.append({ 622 'id': MENU_RELAX_DISP_SPIN_LOCK_FIELD, 623 'text': u("Set the spin-&lock field strength \u03BD1"), 624 'icon': fetch_icon("relax.relax_disp"), 625 'method': self.action_relax_disp_spin_lock_field 626 }) 627 popup_menus.append({ 628 'id': MENU_RELAX_DISP_SPIN_LOCK_OFFSET, 629 'text': u("Set the spin-&lock offset \u03C9_rf"), 630 'icon': fetch_icon("relax.relax_disp"), 631 'method': self.action_relax_disp_spin_lock_offset 632 }) 633 if self.relax_disp_flag and is_cpmg_exp_type(id): 634 popup_menus.append({ 635 'id': MENU_RELAX_DISP_CPMG_SETUP, 636 'text': u("Set the &CPMG pulse sequence information"), 637 'icon': fetch_icon("relax.relax_disp"), 638 'method': self.action_relax_disp_cpmg_setup 639 }) 640 641 # Return the menu. 642 return popup_menus

643 644

645 - def noe_spectrum_type(self, index):

646 """Add the NOE spectral type info to the element. 647 648 @param index: The column index for the data. 649 @type index: int 650 @return: True if a spectrum type exists, False otherwise. 651 @rtype: bool 652 """ 653 654 # No type info. 655 if not hasattr(cdp, 'spectrum_type') or not len(cdp.spectrum_type): 656 return False 657 658 # Append a column. 659 self.element.InsertColumn(index, str_to_gui("NOE spectrum type")) 660 661 # Translation table. 662 table = { 663 'sat': 'Saturated', 664 'ref': 'Reference' 665 } 666 667 # No data. 668 if not hasattr(cdp, 'spectrum_ids'): 669 return True 670 671 # Set the values. 672 for i in range(len(cdp.spectrum_ids)): 673 # No value. 674 if cdp.spectrum_ids[i] not in cdp.spectrum_type: 675 continue 676 677 # Set the value. 678 if dep_check.wx_classic: 679 self.element.SetStringItem(i, index, str_to_gui(table[cdp.spectrum_type[cdp.spectrum_ids[i]]])) 680 else: 681 self.element.SetItem(i, index, str_to_gui(table[cdp.spectrum_type[cdp.spectrum_ids[i]]])) 682 683 # Successful. 684 return True

685 686

687 - def relax_times(self, index):

688 """Add the relaxation delay time info to the element. 689 690 @param index: The column index for the data. 691 @type index: int 692 @return: True if relaxation times exist, False otherwise. 693 @rtype: bool 694 """ 695 696 # No type info. 697 if not hasattr(cdp, 'relax_times') or not len(cdp.relax_times): 698 return False 699 700 # Append a column. 701 self.element.InsertColumn(index, str_to_gui("Delay times (s)")) 702 703 # No data. 704 if not hasattr(cdp, 'spectrum_ids'): 705 return True 706 707 # Set the values. 708 for i in range(len(cdp.spectrum_ids)): 709 # No value. 710 if cdp.spectrum_ids[i] not in cdp.relax_times: 711 continue 712 713 # Set the value. 714 if dep_check.wx_classic: 715 self.element.SetStringItem(i, index, float_to_gui(cdp.relax_times[cdp.spectrum_ids[i]])) 716 else: 717 self.element.SetItem(i, index, float_to_gui(cdp.relax_times[cdp.spectrum_ids[i]])) 718 719 # Successful. 720 return True

721 722

723 - def replicates(self, index):

724 """Add the replicated spectra info to the element. 725 726 @param index: The column index for the data. 727 @type index: int 728 @return: True if relaxation times exist, False otherwise. 729 @rtype: bool 730 """ 731 732 # No type info. 733 if not hasattr(cdp, 'replicates') or not len(cdp.replicates): 734 return False 735 736 # Replicated spectra. 737 repl = replicated_flags() 738 739 # Append a column. 740 self.element.InsertColumn(index, str_to_gui("Replicate IDs")) 741 742 # No data. 743 if not hasattr(cdp, 'spectrum_ids'): 744 return True 745 746 # Set the values. 747 for i in range(len(cdp.spectrum_ids)): 748 # No replicates. 749 if not repl[cdp.spectrum_ids[i]]: 750 continue 751 752 # The replicated spectra. 753 id_list = replicated_ids(cdp.spectrum_ids[i]) 754 755 # Convert to a string. 756 text = '' 757 for j in range(len(id_list)): 758 # Add the id. 759 text = "%s%s" % (text, id_list[j]) 760 761 # Separator. 762 if j < len(id_list)-1: 763 text = "%s, " % text 764 765 # Set the value. 766 if dep_check.wx_classic: 767 self.element.SetStringItem(i, index, str_to_gui(text)) 768 else: 769 self.element.SetItem(i, index, str_to_gui(text)) 770 771 # Successful. 772 return True

773 774

775 - def setup(self):

776 """Override the base variables.""" 777 778 # GUI variables. 779 self.title = "Spectra list" 780 self.observer_base_name = "spectra list" 781 782 # The column titles. 783 self.columns = [] 784 785 # Button set up. 786 self.button_placement = 'top' 787 self.button_size = (170, 40) 788 self.button_info = [ 789 { 790 'object': 'button_add', 791 'label': ' Add', 792 'icon': fetch_icon('oxygen.actions.list-add-relax-blue', "22x22"), 793 'method': self.fn_add, 794 'tooltip': "Read a spectral data file." 795 }, { 796 'object': 'button_delete', 797 'label': ' Delete', 798 'icon': fetch_icon('oxygen.actions.list-remove', "22x22"), 799 'method': self.action_spectrum_delete, 800 'tooltip': "Delete loaded relaxation data from the relax data store." 801 }, { 802 'object': 'button_error_analysis', 803 'label': ' Error analysis', 804 'icon': fetch_icon('oxygen.categories.applications-education', "22x22"), 805 'method': self.action_spectrum_error_analysis, 806 'tooltip': "Perform a peak intensity error analysis on the currently loaded data or data subsets. Select a subset of the spectra below to perform the error analysis only on this subset." 807 } 808 ]

809 810

811 - def update_data(self):

812 """Method called from self.build_element_safe() to update the list data.""" 813 814 # Initialise the column index for the data. 815 index = 1 816 817 # Delete the rows and columns. 818 self.element.DeleteAllItems() 819 for i in reversed(range(self.element.GetColumnCount())): 820 self.element.DeleteColumn(i) 821 822 # Initialise to a single column. 823 self.element.InsertColumn(0, str_to_gui("Spectrum ID")) 824 825 # Expand the number of rows to match the number of spectrum IDs, and add the IDs. 826 n = 0 827 if hasattr(cdp, 'spectrum_ids'): 828 # The number of IDs. 829 n = len(cdp.spectrum_ids) 830 831 # Set the IDs. 832 for i in range(n): 833 if dep_check.wx_classic: 834 self.element.InsertStringItem(i, str_to_gui(cdp.spectrum_ids[i])) 835 else: 836 self.element.InsertItem(i, str_to_gui(cdp.spectrum_ids[i])) 837 838 # The NOE spectrum type. 839 if self.noe_spectrum_type(index): 840 index += 1 841 842 # The experiment type. 843 if self.relax_disp_flag and self.add_exp_type(index): 844 index += 1 845 846 # The spectrometer frequency. 847 if self.relax_disp_flag and self.add_frqs(index): 848 index += 1 849 850 # The spin-lock field strength or CPMG pulse frequency. 851 if self.relax_disp_flag and self.add_disp_point(index): 852 index += 1 853 854 # The offset. 855 if self.relax_disp_flag and self.add_offset(index): 856 index += 1 857 858 # The relaxation times. 859 if (self.relax_fit_flag or self.relax_disp_flag) and self.relax_times(index): 860 index += 1 861 862 # The replicated spectra. 863 if self.replicates(index): 864 index += 1

Source Code for Module gui.components.spectrum