[cclib-svn] SF.net SVN: cclib: [6] trunk/src/cclib/parser

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

Revision: 6
Author:   baoilleach
Date:     2006-03-07 01:52:22 -0800 (Tue, 07 Mar 2006)
ViewCVS:  http://svn.sourceforge.net/cclib/?rev=6&view=rev

Log Message:
-----------
Separated G03 from Logfile.

Modified Paths:
--------------
    trunk/src/cclib/parser/G03.py

Added Paths:
-----------
    trunk/src/cclib/parser/Logfile.py
    trunk/src/cclib/parser/__init__.py
Modified: trunk/src/cclib/parser/G03.py
===================================================================
--- trunk/src/cclib/parser/G03.py	2006-03-07 09:49:10 UTC (rev 5)
+++ trunk/src/cclib/parser/G03.py	2006-03-07 09:52:22 UTC (rev 6)
@@ -19,45 +19,8 @@
 """
 import math,sys,logging,copy,re,os,time # How many of these are necessary?
 import Numeric
+from Logfile import Logfile # import the superclass
 
-def convertor(value,fromunits,tounits):
-    """Convert from one set of units to another.
-
-    >>> convertor(8,"eV","cm-1")
-    64000
-    """
-    _convertor = {"eV_to_cm-1": lambda x: x*8065.6,
-                  "nm_to_cm-1": lambda x: 1e7/x,
-                  "cm-1_to_nm": lambda x: 1e7/x}
-
-    return _convertor["%s_to_%s" % (fromunits,tounits)] (value)
-
-class PeriodicTable(object):
-    """Allows conversion between element name and atomic no.
-
-    >>> t = PeriodicTable()
-    >>> t.element[6]
-    'C'
-    >>> t.number['C']
-    6
-    """
-    def __init__(self):
-        self.element = [None,"H","He","Li","Be","B","C","N","O","F","Ne"]
-        self.number = {}
-        for i in range(1,len(self.element)):
-            self.number[self.element[i]] = i
-
-class Logfile(object):
-    """Abstract class that contains the methods that act on data
-    parsed from various types of logfile."""
-    def __init__(self,filename):
-        self.filename = filename
-
-    def float(self,number):
-        """Convert a string to a float avoiding the problem with Ds."""
-        number = number.replace("D","E")
-        return float(number)
-
 class G03(Logfile):
     """A Gaussian 03 log file
     

Copied: trunk/src/cclib/parser/Logfile.py (from rev 5, trunk/src/cclib/parser/G03.py)
===================================================================
--- trunk/src/cclib/parser/Logfile.py	                        (rev 0)
+++ trunk/src/cclib/parser/Logfile.py	2006-03-07 09:52:22 UTC (rev 6)
@@ -0,0 +1,63 @@
+"""
+cclib is a parser for computational chemistry log files.
+
+See http://cclib.sf.net for more information.
+
+Copyright (C) 2006 Noel O'Boyle and Adam Tenderholt
+
+ This program is free software; you can redistribute and/or modify it
+ under the terms of the GNU General Public License as published by the
+ Free Software Foundation; either version 2, or (at your option) any later
+ version.
+
+ 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
+ General Public License for more details.
+
+Contributions (monetary as well as code :-) are encouraged.
+"""
+import math,sys,logging,copy,re,os,time # How many of these are necessary?
+import Numeric
+
+def convertor(value,fromunits,tounits):
+    """Convert from one set of units to another.
+
+    >>> convertor(8,"eV","cm-1")
+    64000
+    """
+    _convertor = {"eV_to_cm-1": lambda x: x*8065.6,
+                  "nm_to_cm-1": lambda x: 1e7/x,
+                  "cm-1_to_nm": lambda x: 1e7/x}
+
+    return _convertor["%s_to_%s" % (fromunits,tounits)] (value)
+
+class PeriodicTable(object):
+    """Allows conversion between element name and atomic no.
+
+    >>> t = PeriodicTable()
+    >>> t.element[6]
+    'C'
+    >>> t.number['C']
+    6
+    """
+    def __init__(self):
+        self.element = [None,"H","He","Li","Be","B","C","N","O","F","Ne"]
+        self.number = {}
+        for i in range(1,len(self.element)):
+            self.number[self.element[i]] = i
+
+class Logfile(object):
+    """Abstract class that contains the methods that act on data
+    parsed from various types of logfile."""
+    def __init__(self,filename):
+        self.filename = filename
+
+    def float(self,number):
+        """Convert a string to a float avoiding the problem with Ds."""
+        number = number.replace("D","E")
+        return float(number)
+
+if __name__=="__main__":
+    import doctest,parser
+    doctest.testmod(parser,verbose=False)

Added: trunk/src/cclib/parser/__init__.py
===================================================================


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