[cclib-svn] SF.net SVN: cclib: [14] trunk/src/cclib/parser

[<ate...@us...>]

Revision: 14
Author:   atenderholt
Date:     2006-03-09 11:54:18 -0800 (Thu, 09 Mar 2006)
ViewCVS:  http://svn.sourceforge.net/cclib/?rev=14&view=rev

Log Message:
-----------
Initial work on progress dialog support

Modified Paths:
--------------
    trunk/src/cclib/parser/g03parser.py
    trunk/src/cclib/parser/logfileparser.py

Added Paths:
-----------
    trunk/src/cclib/parser/textprogress.py
Modified: trunk/src/cclib/parser/g03parser.py
===================================================================
--- trunk/src/cclib/parser/g03parser.py	2006-03-09 09:54:04 UTC (rev 13)
+++ trunk/src/cclib/parser/g03parser.py	2006-03-09 19:54:18 UTC (rev 14)
@@ -24,10 +24,10 @@
 class G03(Logfile):
     """A Gaussian 98/03 log file"""
     SCFRMS,SCFMAX,SCFENERGY = range(3) # Used to index self.scftargets[]
-    def __init__(self,filename):
+    def __init__(self,*args):
 
         # Call the __init__ method of the superclass
-        super(G03, self).__init__(filename)
+        super(G03, self).__init__(*args)
         
         # Set up the logger...will move this into superclass
         # through a function call with G03 as a parameter.
@@ -50,8 +50,24 @@
     def parse(self):
         """Extract information from the logfile."""
         inputfile = open(self.filename,"r")
+        
+        if self.progress:
+            
+            inputfile.seek(0,2) #go to end of file
+            nstep=inputfile.tell()
+            inputfile.seek(0)
+            self.progress.initialize(nstep)
+            self.oldstep=0
+            
         for line in inputfile:
             
+            if self.progress:
+                
+                step=inputfile.tell()
+                if not (step==self.oldstep):
+                    self.progress.update(step)
+                self.oldstep=step
+                
             if line[1:8]=="NAtoms=":
 # Find the number of atoms
                 natom = int(line.split()[1])

Modified: trunk/src/cclib/parser/logfileparser.py
===================================================================
--- trunk/src/cclib/parser/logfileparser.py	2006-03-09 09:54:04 UTC (rev 13)
+++ trunk/src/cclib/parser/logfileparser.py	2006-03-09 19:54:18 UTC (rev 14)
@@ -71,6 +71,7 @@
         natom -- number of atoms
         nbasis -- number of basis functions
         nindep -- number of linearly-independent basis functions
+        progress -- class (or None) for handling progress info
         scftargets -- targets for convergence of the SCF
         scfvalues -- current values for convergence of the SCF
         vibfreqs -- vibrational frequencies
@@ -78,8 +79,9 @@
         vibramans -- Raman intensity
         vibsyms -- symmetry of vibrations    
     """
-    def __init__(self,filename):
+    def __init__(self,filename,progress=None):
         self.filename = filename
+        self.progress = progress
 
     def float(self,number):
         """Convert a string to a float avoiding the problem with Ds."""

Added: trunk/src/cclib/parser/textprogress.py
===================================================================
--- trunk/src/cclib/parser/textprogress.py	                        (rev 0)
+++ trunk/src/cclib/parser/textprogress.py	2006-03-09 19:54:18 UTC (rev 14)
@@ -0,0 +1,35 @@
+
+class TextProgress:
+    
+    def __init__(self):
+        
+        self.nstep=0
+        self.text=None
+        self.oldprogress=0
+        self.progress=0
+        
+    def initialize(self,nstep,text=None):
+        
+        self.nstep=float(nstep)
+        self.text=text
+        
+    def update(self,step,newtext=None):
+        
+        self.progress=int(float(step)/self.nstep*100)
+        #print step,self.nstep
+        
+        if(self.progress/10==self.oldprogress/10+1): #just went through an interval of ten, ie. from 39 to 41, so update
+            
+            str="["
+            for i in range(self.progress/10):
+                str+="="
+            for i in range(self.progress/10,10):
+                str+="-"
+                
+            str+="]"
+            
+            print str
+            
+        self.oldprogress=self.progress
+        return
+


This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site.