From eae1e2d0d3b9b0d403ebc0c1ca1d4e1d14b7a140 Mon Sep 17 00:00:00 2001
From: Markus Scheidgen <markus.scheidgen@gmail.com>
Date: Wed, 5 Sep 2018 09:37:32 +0200
Subject: [PATCH] Fixed aims main file re.
---
nomad/parsing.py | 10 ++++++----
tests/misc.http | 2 +-
tests/test_parsing.py | 9 ++++-----
3 files changed, 11 insertions(+), 10 deletions(-)
diff --git a/nomad/parsing.py b/nomad/parsing.py
index 0406a58299..73129c4233 100644
--- a/nomad/parsing.py
+++ b/nomad/parsing.py
@@ -602,7 +602,8 @@ class Parser():
file = None
try:
file = open(filename)
- return self._main_contents_re.match(file.read(500)) is not None
+ contents = file.read(500)
+ return self._main_contents_re.match(contents) is not None
finally:
if file:
file.close()
@@ -674,10 +675,11 @@ parsers = [
Parser(
python_git=dependencies['parsers/fhi-aims'],
parser_class_name='fhiaimsparser.FHIaimsParser',
- main_file_re=r'^.*\.out$', # TODO
+ main_file_re=r'^.*\.out$',
main_contents_re=(
- r'\s*Invoking FHI-aims \.\.\.\n'
- r'\s*Version')
+ r'^(.*\n)*'
+ r'?\s*Invoking FHI-aims \.\.\.'
+ r'?\s*Version')
)
]
""" Instanciation and constructor based config of all parsers. """
diff --git a/tests/misc.http b/tests/misc.http
index 36e0f33e20..833644fbf4 100644
--- a/tests/misc.http
+++ b/tests/misc.http
@@ -6,5 +6,5 @@ POST http://enc-staging-nomad.esc.rzg.mpg.de/nomadxt/api/uploads HTTP/1.1
content-type: application/json
{
- "name": "RlVlpdRpKNozUtEx9dpD3E4Qc-_X4.zip"
+ "name": "aims-example-full"
}
diff --git a/tests/test_parsing.py b/tests/test_parsing.py
index 145a53636b..59deeb7060 100644
--- a/tests/test_parsing.py
+++ b/tests/test_parsing.py
@@ -212,15 +212,14 @@ def test_parser(parsed_example):
def test_match():
- vasp_parser = parser_dict['parsers/vasp']
directory = 'tests/data/proc/match'
count = 0
for dirpath, _, filenames in os.walk(directory):
for filename in filenames:
fullname = os.path.join(dirpath, filename)
- if vasp_parser.is_mainfile(fullname, lambda fn: open(fn)):
- print(fullname)
- count += 1
+ for parser in parser_dict.values():
+ if parser.is_mainfile(fullname, lambda fn: open(fn)):
+ count += 1
- assert count == 5
+ assert count == 6
--
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