""" python/ui/MolLabel.py: CCP4MG Molecular Graphics Program Copyright (C) 2001-2008 University of York, CCLRC Copyright (C) 2009-2010 University of York This library is free software: you can redistribute it and/or modify it under the terms of the GNU Lesser General Public License version 3, modified in accordance with the provisions of the license to address the requirements of UK law. You should have received a copy of the modified GNU Lesser General Public License along with this library. If not, copies may be downloaded from http://www.ccp4.ac.uk/ccp4license.php This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more details. """ from global_definitions import * import model_selection,dataobj LABEL_STYLE_PARAM = ['mol_number','mol_name','model_id', \ 'chain_id','sequence', \ 'residue_type','atom_id', \ 'element','energy_type','xyz', \ 'bval','occ','charge','symid','symop'] LABEL_STYLE_ALIAS = ['Molecule number','Molecule name', \ 'Model id','Chain id','Residue id', \ 'Residue type','Atom name', \ 'Element','Energy type','Coordinates', \ 'Temperature factor','Occupancy','Charge', 'Sym id','Sym operation'] LABEL_STYLE_GUI_ORDER = [ 0,1,13,14,2,3,4,5,6,7,8,9,10,11,12] LABEL_SELECTION_MENU = ['no atoms','one atom/residue', 'one atom/5 residues','one atom/10 residues','SSE termini', 'chain termini', 'NMR/symmetry model', 'all atoms'] LABEL_SELECTION_ALIAS = ['label_no','label_one_atom_1','label_one_atom_5', 'label_one_atom_10','label_SSEtermini','label_termini','label_modeltermini','label_all'] LABEL_STYLE_MASK = [ [],[],[1],[2],[3,4],[5],[6,7],[8],[10],[11],[13],[15],[17],[],[]] DEFAULT_LABEL_STYLE = [0,0,0,1,1,1,1,0,0,0,0,0,0,0,0] # Label atom Mask parameters - see mmut/mman_manager.h # 0 Molecule # 1 Model # 2 Chain Id # 3 Sequence number # 4 Insertion code # 5 Residue name # 6 Atom id # 7 Alternate position # 8 Element # 9 Index # 10 Atom energy type # 11 xyz # 12 Sig x,y,z # 13 Bval # 14 Sig bval # 15 occ # 16 Sig occ # 17 charge # 18 Secondary structure #------------------------------------------------------------------------ #------------------------------------------------------------------------ #------------------------------------------------------------------------ class MolLabel(dataobj.Dependency): class_dependents = {} initialisation = { 'label_user_oneperres' : 1, 'label_user_selparams' : {}, 'label_colour' : 'complement' } initialisation_order = ['label_select','label_style','label_colour','label_user_selparams','label_user_oneperres','truncate_mol_name_length','truncate_mol_name'] def __init__(self,parent='',mol='',visibility='1',name='', \ params={},**keywords): #print 'MolLabel.init params',params self.object_type = 'MolLabel' self.mol = get_dataobj(name=mol)[0] self.parent = get_dispobj(name=parent) self.do_redraw = 1 PM('atom_label_params').add_dependent(handleAtomLabelParamsManager) # Initialise pars = PM('atom_label_params').getparams() pars.update(params) pars.update(keywords) for item in ['label_style','label_select','truncate_mol_name','truncate_mol_name_length']: setattr(self,item,pars.get(item)) for key,value in MolLabel.initialisation.items(): setattr(self,key,value) # Beware if reading pre2.0 status will have name without 'label_' for key in MolLabel.initialisation_order: if params.has_key(key[6:]): params[key] = params[key[6:]] del params[key[6:]] # Handle change in label_alias needed to avoid clashing action # names (e.g. 'all') in Qt gui for GDispObj if params.has_key('label_select'): if params['label_select'][0:5] != 'label': params['label_select'] = 'label_'+params['label_select'] self.setparams(params) # Beware extended options - possible issues in restoring status diflen = len(LABEL_STYLE_ALIAS)-len(self.label_style) if diflen>0: for i in range(0,diflen): self.label_style.append(0) dataobj.Dependency.__init__(self) self.update_dependents('create') def set_selection(self,label_select='',label_user_oneperres=0): self.label_select = label_select def set_style(self,label_style=''): self.label_style = label_style #---------------------------------------------------------------------- def setparams(self,params={},force=0,**kw): #---------------------------------------------------------------------- params.update(kw) #print "MolLabel.setparams",params for item in ['label_style','label_select','truncate_mol_name','truncate_mol_name_length']: if params.has_key(item) and params.get(item) != getattr(self,item): self.do_redraw = 2 setattr(self,item,params.get(item)) if force: self.do_redraw = 2 # beware - we are not handling user seelction!!! #------------------------------------------------------------------------ def params(self,all=1): #------------------------------------------------------------------------ pars = {} #if self.select == 'label_no': return pars if all: for key in MolLabel.initialisation_order: pars[key] = getattr(self,key,'') else: for key in MolLabel.initialisation_order[0:3]: pars[key] = getattr(self,key,'') for key in MolLabel.initialisation_order[3:]: value = getattr(self,key,'') if value != MolLabel.initialisation[key]: pars[key] = value return pars #------------------------------------------------------------------ def update_data_status(self,new_params): #------------------------------------------------------------------ import utils rv = 0 diffs = utils.dict_diffs(self.params(),new_params)[1] #print "MolLabel update_data_status diffs",diffs if diffs.has_key('label_user_selparams'): rv = 1 self.user_selparams = diffs['label_user_selparams'] self.handle_user_selection() if diffs.has_key('label_user_oneperres') or diffs.has_key('label_select'): rv = 1 self.set_selection(label_user_oneperres=diffs.get('label_user_oneperres',''), \ label_select=diffs.get('label_select','')) if diffs.has_key('label_style'): rv = 1 self.set_style(label_style = diffs['label_style']) if rv: self.set_do_redraw() return rv #---------------------------------------------------------------------- def set_do_redraw(self,mode=2): #---------------------------------------------------------------------- self.do_redraw = mode #------------------------------------------------------------------ def handle_moving_data(self,attribute='',master='',**keywords): #------------------------------------------------------------------ self.do_redraw = 2 #------------------------------------------------------------------ def draw (self ): #------------------------------------------------------------------ #print "MolLabel draw",self.do_redraw,self.label_select if self.do_redraw == 0: return 0 elif self.label_select == 'label_no': self.delete_labels() return 0 else: # Treat all cases the same self.delete_labels() self.create_labels() self.do_redraw = 0 return 1 #----------------------------------------------------------------- def create_labels(self): #------------------------------------------------------------------ import sys #print "create_labels label_select",self.parent,self.label_select if self.label_select == 'label_no': return SelHandle = model_selection.SelHandle(self.mol.name) SelHandle.mergeSelection(op='new',SelHandle=self.parent.SelHandle) period = 1 if self.label_select[6:] == 'all': pass elif [ 'termini','SSEtermini','modeltermini'].count(self.label_select[6:]): SelHandle.mergeSelection(self.label_select[6:],'and') elif self.label_select[6:14] == 'one_atom': SelHandle.mergeSelection('one_atom','and') period = int(self.label_select[15:]) #print "create_labels nAtoms",SelHandle.getNofAtoms() # Convert the GUI selection mask to the mask for the AtomLabel methd import pygl_coord mask = pygl_coord.inta(20) for i in range(0,20): mask[i] = 0 for i in range(0,len(self.label_style)): if self.label_style[i]: for j in LABEL_STYLE_MASK[i]: mask[j] = 1 moln = '' if self.label_style[0]: moln = str(self.mol.MolData_number)+')' if self.label_style[1]: if self.truncate_mol_name: #print "name_label",self.mol.name_label moln = moln+self.mol.name_label[0:min(self.truncate_mol_name_length,len(self.mol.name_label))]+':' else: moln = moln+self.mol.name_label+':' import global_definitions glWidgets = global_definitions.GLWIDGETS() if glWidgets and len(glWidgets)>0 and hasattr(glWidgets[0],"getBackground"): red,green,blue = glWidgets[0].getBackground() if sys.argv.count('-quit'): self.parent.CMgAppUtils.CreateAtomLabels(SelHandle.getSelHnd(),self.parent.label_graphmod.obj,mask,period,moln,1-red/255.,1-green/255.,1-blue/255.) else: self.parent.CMgAppUtils.CreateAtomLabels(SelHandle.getSelHnd(),self.parent.label_graphmod.obj,mask,period,moln) font = FONTMANAGER().getFont('atom_label') #print "MolLabel font",font; sys.stdout.flush() self.parent.label_graphmod.obj.SetTextFont( str(font['family']), str(font['weight']), \ str(font['slant']),int(font['size']),int(font['underline'])) self.parent.label_graphmod.obj.rebuild() del SelHandle #----------------------------------------------------------------------- def delete_labels (self) : #----------------------------------------------------------------------- # Delete all of the text graphical objects associated with all of the # molecule dispobj if not self.parent.label_graphmod: return self.parent.CMgAppUtils.DeleteAtomLabels(self.parent.label_graphmod.obj) #self.parent.label_graphmod.obj.rebuild() #----------------------------------------------------------------------- def atomLabelParamsManager(name='atom_label_params',copy_from=None): #----------------------------------------------------------------------- import services pm = services.ParamsManager( name=name, title='Atom label options', copy_from = copy_from, picture_definition = 1, gui=['label_select','label_style','truncate_mol_name_length','truncate_mol_name','show_number_label' ], default = { 'label_select': 'label_no', 'label_style': [0,0,0,1,1,1,1,0,0,0,0,0,0], 'truncate_mol_name_length': 6, 'truncate_mol_name': 0, 'show_number_label' : 0 }, help = '') return pm #------------------------------------------------------------------- def handleAtomLabelParamsManager( **kw ): #------------------------------------------------------------------- # Get list of model display objects which may need updating params = PM('atom_label_params').getparams() obj_list = get_dispobj(object_type='MolDisp') for obj in obj_list: obj.label.setparams(params)