[cclib-svn] SF.net SVN: cclib: [117] trunk/src/cclib/parser/adfparser.py

[<bao...@us...>]

Revision: 117
Author:   baoilleach
Date:     2006-05-13 11:48:19 -0700 (Sat, 13 May 2006)
ViewCVS:  http://svn.sourceforge.net/cclib/?rev=117&view=rev

Log Message:
-----------
Changed indentation of 2-spaces to 4-spaces. I think we should standardise on 4.

Modified Paths:
--------------
    trunk/src/cclib/parser/adfparser.py
Modified: trunk/src/cclib/parser/adfparser.py
===================================================================
--- trunk/src/cclib/parser/adfparser.py	2006-05-13 18:45:57 UTC (rev 116)
+++ trunk/src/cclib/parser/adfparser.py	2006-05-13 18:48:19 UTC (rev 117)
@@ -23,8 +23,7 @@
 from logfileparser import Logfile,convertor
 
 class ADF(Logfile):
-    """A Gaussian 98/03 log file"""
-    #SCFRMS,SCFMAX,SCFENERGY = range(3) # Used to index self.scftargets[]
+    """An ADF log file"""
     SCFCNV,SCFCNV2 = range(2) #used to index self.scftargets[]
     def __init__(self,*args):
 
@@ -132,50 +131,50 @@
             if line[1:22]=="S C F   U P D A T E S":
 # find targets for SCF convergence (QM calcs)
 
-              if not hasattr(self,"scftargets"):
-                self.logger.info("Creating attribute scftargets[]")
-              self.scftargets = Numeric.array([0.0, 0.0],'f')
+                if not hasattr(self,"scftargets"):
+                    self.logger.info("Creating attribute scftargets[]")
+                    self.scftargets = Numeric.array([0.0, 0.0],'f')
+
+                #underline, blank, nr
+                for i in range(3): inputfile.next()
+
+                line=inputfile.next()
+                self.scftargets[ADF.SCFCNV]=float(line.split()[2])
+                line=inputfile.next()
+                self.scftargets[ADF.SCFCNV2]=float(line.split()[2])
               
-              #underline, blank, nr
-              for i in range(3): inputfile.next()
-              
-              line=inputfile.next()
-              self.scftargets[ADF.SCFCNV]=float(line.split()[2])
-              line=inputfile.next()
-              self.scftargets[ADF.SCFCNV2]=float(line.split()[2])
-              
             if line[1:11]=="CYCLE    1":
               
-              if self.progress and random.random() < fupdate:
-                step=inputfile.tell()
-                if step!=oldstep:
-                  self.progress.update(step, "QM Convergence")
-                  oldstep=step
+                if self.progress and random.random() < fupdate:
+                    step=inputfile.tell()
+                    if step!=oldstep:
+                        self.progress.update(step, "QM Convergence")
+                        oldstep=step
               
-              if not hasattr(self,"scfvalues"):
-                self.logger.info("Creating attribute scfvalues")
-                self.scfvalues = []
+                if not hasattr(self,"scfvalues"):
+                    self.logger.info("Creating attribute scfvalues")
+                    self.scfvalues = []
                 
-              newlist = [ [] for x in self.scftargets ]
-              line=inputfile.next()
-              
-              while line.find("SCF CONVERGED")==-1:
-              
-                if line[1:7]=="d-Pmat":
-                  info=line.split()
-                  newlist[ADF.SCFCNV].append(float(info[2]))
+                newlist = [ [] for x in self.scftargets ]
+                line=inputfile.next()
+
+                while line.find("SCF CONVERGED")==-1:
+
+                  if line[1:7]=="d-Pmat":
+                      info=line.split()
+                      newlist[ADF.SCFCNV].append(float(info[2]))
                   
-                  line=inputfile.next()
-                  info=line.split()
-                  newlist[ADF.SCFCNV2].append(float(info[2]))
+                      line=inputfile.next()
+                      info=line.split()
+                      newlist[ADF.SCFCNV2].append(float(info[2]))
+
+                  try:
+                      line=inputfile.next()
+                  except StopIteration: #EOF reached?
+                      break
+
+                self.scfvalues.append(newlist)
               
-                try:
-                  line=inputfile.next()
-                except StopIteration: #EOF reached?
-                  break
-              
-              self.scfvalues.append(newlist)
-              
 #             if line[1:10]=='Cycle   1':
 # # Extract SCF convergence information (QM calcs)
 #                 if self.progress and random.random()<fupdate:


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