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nomad-lab
parser-cp2k
Commits
912790d4
Commit
912790d4
authored
Nov 18, 2015
by
Lauri Himanen
Browse files
Fixed readme markup syntax.
parent
cb222142
Changes
2
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README.md
View file @
912790d4
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@@ -33,9 +33,9 @@ the common parser structure when it is available.
# Structure
Currently the python package is divided into three subpackages:
-
Engines: Classes for parsing different type of files
-
Generics: Generic utility classes and base classes
-
Implementation: The classes that actually define the parser functionality.
-
Engines: Classes for parsing different type of files
-
Generics: Generic utility classes and base classes
-
Implementation: The classes that actually define the parser functionality.
# Reusable components and ideas for other parsers
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@@ -56,13 +56,13 @@ the performance of an engine but if the function calls remain the same no other
code has to be changed.
Currently implemented engines that could be reused (not tested properly yet):
-
RegexEngine: For parsing text files with regular expressions. Uses the re2
library if available (falls back to default python regex implementation if
re2 not found).
-
XYZEngine: For parsing XYZ files and files with similar structure. Has a very
flexible nature as you can specify comments, column delimiters, column
indices and the patterns used to separate different configurations.
-
XMLEngine: For parsing XML files using XPath syntax.
-
RegexEngine: For parsing text files with regular expressions. Uses the re2
library if available (falls back to default python regex implementation if
re2 not found).
-
XYZEngine: For parsing XYZ files and files with similar structure. Has a very
flexible nature as you can specify comments, column delimiters, column
indices and the patterns used to separate different configurations.
-
XMLEngine: For parsing XML files using XPath syntax.
## NomadParser base class
In the generics folder there is a module called nomadparser.py that defines a
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@@ -74,11 +74,11 @@ the scala code (will be modified later to conform to the common interface).
This class is also responsible for some common tasks that are present in all
parsers:
- Unit conversion
- JSON encoding
- Caching
- Time measurement for performance analysis
- Providing file contents, sizes and handles
-
Unit conversion
-
JSON encoding
-
Caching
-
Time measurement for performance analysis
-
Providing file contents, sizes and handles
## Logging
Python has a great
[
logging package
](
https://www.google.com
)
which helps in
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cp2kparser/engines/cp2kinputengine.py
View file @
912790d4
#! /usr/bin/env python
# -*- coding: utf-8 -*-
import
os
from
collections
import
defaultdict
import
logging
import
cPickle
as
pickle
logger
=
logging
.
getLogger
(
__name__
)
...
...
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