fixes

shivupa · Apr 29, 2024 · 2433157 · 2433157
1 parent 2c78911
commit 2433157
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Showing 10 changed files with 17 additions and 37 deletions.
diff --git a/cclib/attribute_parsers/__init__.py b/cclib/attribute_parsers/__init__.py
@@ -19,3 +19,10 @@
 from cclib.attribute_parsers.nbasis import nbasis
 from cclib.attribute_parsers.nmo import nmo
 from cclib.attribute_parsers.scfenergies import scfenergies
+from cclib.attribute_parsers.nbasis import nbasis
+from cclib.attribute_parsers.nmo import nmo
+from cclib.attribute_parsers.moenergies import moenergies
+from cclib.attribute_parsers.scftargets import scftargets
+from cclib.attribute_parsers.scfvalues import scfvalues
+from cclib.attribute_parsers.aooverlaps import aooverlaps
+from cclib.attribute_parsers.coreelectrons import coreelectrons
diff --git a/cclib/parser_properties/aooverlaps.py → cclib/attribute_parsers/aooverlaps.py b/cclib/parser_properties/aooverlaps.py → cclib/attribute_parsers/aooverlaps.py
@@ -4,8 +4,8 @@
 # the terms of the BSD 3-Clause License.
 from typing import Optional
 
-from cclib.parser_properties import utils
-from cclib.parser_properties.base_parser import base_parser
+from cclib.attribute_parsers import utils
+from cclib.attribute_parsers.base_parser import base_parser
 
 import numpy as np
 

diff --git a/cclib/parser_properties/moenergies.py → cclib/attribute_parsers/moenergies.py b/cclib/parser_properties/moenergies.py → cclib/attribute_parsers/moenergies.py
@@ -4,8 +4,8 @@
 # the terms of the BSD 3-Clause License.
 from typing import Optional
 
-from cclib.parser_properties import utils
-from cclib.parser_properties.base_parser import base_parser
+from cclib.attribute_parsers import utils
+from cclib.attribute_parsers.base_parser import base_parser
 
 import numpy as np
 

diff --git a/cclib/parser_properties/scfvalues.py → cclib/attribute_parsers/scfvalues.py b/cclib/parser_properties/scfvalues.py → cclib/attribute_parsers/scfvalues.py
@@ -6,8 +6,8 @@
 import re
 from typing import Optional
 
-from cclib.parser_properties import utils
-from cclib.parser_properties.base_parser import base_parser
+from cclib.attribute_parsers import utils
+from cclib.attribute_parsers.base_parser import base_parser
 
 import numpy as np
 

diff --git a/cclib/combinator/combinator.py b/cclib/combinator/combinator.py
@@ -18,7 +18,6 @@ class combinator:
     cprops.atomcoords,
     cprops.atomcharges,
     cprops.atomnos,
-    cprops.coreelectrons,
     cprops.charge,
     cprops.mult,
     cprops.moenergies,

diff --git a/cclib/io/__init__.py b/cclib/io/__init__.py
@@ -20,6 +20,6 @@
 #   from cclib.io import ccwrite
 #   from cclib.io import URL_PATTERN todo from cclib.io.ccio import ccframe
 # todo from cclib.io.ccio import ccopen
-from cclib.io.ccio import ccopen, ccread
+from cclib.io.ccio import ccopen, ccread, ccframe
 
 # todo from cclib.io.ccio import ccwrite
diff --git a/cclib/parser_properties/__init__.py b/cclib/parser_properties/__init__.py
diff --git a/test/conftest.py b/test/conftest.py
@@ -18,7 +18,7 @@
 
 from cclib.file_handler import FileHandler
 from cclib.io import ccopen
-from cclib.parser_properties.data import ccData
+from cclib.attribute_parsers.data import ccData
 
 import pytest
 import yaml

diff --git a/test/data/common.py b/test/data/common.py
@@ -7,7 +7,7 @@
 
 import itertools
 
-from cclib.parser_properties.data import ccData
+from cclib.attribute_parsers.data import ccData
 
 import numpy
 

diff --git a/test/test_data.py b/test/test_data.py
@@ -58,7 +58,7 @@ def getdatafile(
     subdir,
     files,
     loglevel: int = logging.ERROR,
-    datatype: Optional[Type[cclib.parser_properties.data.ccData]] = None,
+    datatype: Optional[Type[cclib.attribute_parsers.data.ccData]] = None,
 ):
     """Returns a parsed logfile.