Source Code for Module rdkit.ML.Composite.CompositeCOM

  1  # 
  2  #  Copyright (C) 2001 greg Landrum 
  3  # 
  4  """ the COM server for Composite models 
  5   
  6  """ 
  7   
  8  from rdkit import RDConfig 
  9  import string 
 10  from rdkit.ML.Composite import Composite 
 11  import cPickle 
 12  import sys 
 13  import winerror 
 14  from win32com.server import exception 
 15   
 16 -class CompositeServer(object): 
 17    """ exposes an interface for composite COM servers 
 18   
 19      This interface does not support modifying the composite, only 
 20       classifying new examples 
 21   
 22      **Public Methods** 
 23   
 24       - LoadComposite 
 25   
 26       - ClassifyExample 
 27   
 28       - ShowComposite 
 29   
 30       - GetVoteDetails 
 31   
 32       - SetInputOrder 
 33   
 34       - GetDescriptorNames 
 35   
 36       - Close 
 37   
 38      **Public Attributes** 
 39   
 40        None 
 41        
 42      **ProgID** 
 43       
 44        RD.Composite 
 45   
 46    """ 
 47    _public_methods_ = ['LoadComposite','ClassifyExample','ShowComposite', 
 48                        'GetVoteDetails','SetInputOrder','GetDescriptorNames', 
 49                        'Close'] 
 50    _public_attrs_ = [] 
 51    _reg_clsid_ = '{9F62358E-9043-4BF9-93C7-47BED8BE522F}' 
 52    _reg_progid_ = "RD.Composite" 
 53   
 54 -  def Close(self): 
 55      """ Blows out the local composite 
 56   
 57        **Note** 
 58   
 59          _LoadComposite()_ must be called after this for further use of the 
 60          composite 
 61   
 62      """ 
 63      self._composite = None 
 64   
 65 -  def LoadComposite(self,fileName): 
 66      """ Loads a (pickled) composite from a file 
 67   
 68       **Arguments** 
 69         - fileName: the name of the file to load 
 70   
 71      """ 
 72      try: 
 73        f = open(str(fileName),'rb') 
 74      except: 
 75        raise exception.COMException('The file %s could not be opened'%(fileName), 
 76                                     winerror.ERROR_FILE_NOT_FOUND) 
 77      try: 
 78        self._composite = cPickle.load(f) 
 79      except: 
 80        raise exception.COMException('The composite could not be loaded', 
 81                                     winerror.ERROR_INVALID_HANDLE) 
 82         
 83      return fileName 
 84   
 85 -  def ShowComposite(self): 
 86      """ returns a string representation of the composite 
 87   
 88      """ 
 89      try: 
 90        c = self._composite 
 91      except AttributeError: 
 92        raise exception.COMException('The composite has not yet been loaded', 
 93                                     winerror.ERROR_INVALID_HANDLE) 
 94      else: 
 95        return str(c) 
 96       
 97 -  def GetVoteDetails(self): 
 98      """ returns a list of the results of the last vote 
 99   
100      """ 
101      try: 
102        c = self._composite 
103      except AttributeError: 
104        raise exception.COMException('The composite has not yet been loaded', 
105                                     winerror.ERROR_FILE_NOT_FOUND) 
106      else: 
107        try: 
108          return c.GetVoteDetails() 
109        except: 
110          raise exception.COMException('VoteDetails unavaliable',winerror.ERROR_INVALID_HANDLE) 
111     
112 -  def SetInputOrder(self,colNames): 
113      """ Sets the input order for the composite 
114   
115        this is used so that the composite can remap inputs which are not 
116        in an order it expects 
117   
118        **Arguments** 
119   
120          - colNames: a list of the names of the columns in the data which will be 
121             passed in to the composite 
122   
123        **Notes** 
124   
125          - there must be a column name which matches each of the composite's 
126            descriptors (accessible via _GetDescriptorNames()_) 
127   
128      """ 
129      try: 
130        c = self._composite 
131      except AttributeError: 
132        raise exception.COMException('The composite has not yet been loaded', 
133                                     winerror.ERROR_INVALID_HANDLE) 
134   
135      try: 
136        colNames = map(str,colNames) 
137        c.SetInputOrder(colNames) 
138      except: 
139        raise exception.COMException('SetInputOrder failed.',winerror.ERROR_INVALID_HANDLE) 
140      return 0  
141         
142 -  def GetDescriptorNames(self): 
143      """ returns a list of the descriptor names the composite expects 
144   
145      """ 
146      try: 
147        c = self._composite 
148      except AttributeError: 
149        raise exception.COMException('The composite has not yet been loaded', 
150                                     winerror.ERROR_INVALID_HANDLE) 
151      else: 
152        try: 
153          return c.GetDescriptorNames() 
154        except: 
155          raise exception.COMException('GetDescriptorNames failed.',winerror.ERROR_INVALID_HANDLE) 
156   
157 -  def ClassifyExample(self,example,threshold=0): 
158      """ classifies a new example 
159   
160        **Arguments** 
161   
162          - example: a list containing the example to be classified 
163   
164          - threshold: the threshold to be used for high-confidence predictions 
165   
166        **Returns** 
167   
168          a list two elements long: 
169   
170             1) the classification (this will be -1 if the confidence of the prediction 
171                was below _threshold_ 
172   
173             2) the confidence 
174         
175      """        
176      try: 
177        c = self._composite 
178      except AttributeError: 
179        raise exception.COMException('The composite has not yet been loaded', 
180                                     winerror.ERROR_INVALID_HANDLE) 
181      if 0: 
182        try: 
183          res = c.ClassifyExample(example,threshold=threshold) 
184        except: 
185          import traceback,sys 
186          outF = open(RDConfig.RDCodeDir+'/ml/composite/log.txt','a+') 
187          outF.write('#------------------------------\n') 
188          outF.write('ex: %s\n'%str(example)) 
189          traceback.print_tb(sys.exc_info()[2],file=outF) 
190          outF.close() 
191          res = [] 
192      else: 
193        try: 
194          res = c.ClassifyExample(example,threshold=threshold) 
195        except: 
196          raise exception.COMException('ClassifyExample failed.',winerror.ERROR_INVALID_HANDLE) 
197      return list(res) 
198     
199  if __name__=='__main__': 
200      from win32com.server import register 
201      register.UseCommandLine(CompositeServer) 
202