installable, dual py2+py3 compatibility, that fixes/tolerates some non-standard nodes

.gitignore

@@ -20,3 +20,6 @@ doc*/build/*
 *.json
 *.dat
 *.log
+dist
+build
+*.egg-info

doc/source/conf.py

@@ -16,7 +16,7 @@
 # If extensions (or modules to document with autodoc) are in another directory,
 # add these directories to sys.path here. If the directory is relative to the
 # documentation root, use os.path.abspath to make it absolute, like shown here.
-sys.path.append(os.path.abspath('../../.'))
+sys.path.append(os.path.abspath('../../vamdclib'))
 
 # -- General configuration -----------------------------------------------------
 
@@ -48,9 +48,9 @@
 # built documents.
 #
 # The short X.Y version.
-version = '0.1'
+version = '0.3'
 # The full version, including alpha/beta/rc tags.
-release = '0.1'
+release = '0.3'
 
 # The language for content autogenerated by Sphinx. Refer to documentation
 # for a list of supported languages.

setup.py

@@ -0,0 +1,24 @@
+import setuptools
+
+with open("README", "r") as fh:
+    long_description = fh.read()
+
+setuptools.setup(
+    name="vamdclib",
+    version="0.3",
+    author="Christian Endres, Jacob Laas",
+    author_email="[email protected]",
+    description="A pure-python library for the VAMDC.",
+    long_description=long_description,
+    long_description_content_type="text/plain",
+    url="https://github.com/notlaast/vamdclib",
+    packages=setuptools.find_packages(),
+    classifiers=[
+        "Programming Language :: Python :: 2.7",
+        "Programming Language :: Python :: 3",
+        "License :: OSI Approved :: GPLv3 License",
+        "Operating System :: Linux",
+        "Operating System :: Windows",
+        "Operating System :: MacOS"
+    ],
+)

vamdclib/__init__.py

@@ -0,0 +1,13 @@
+__version__ = '0.3'
+__all__ = ["basemodel",
+           "database",
+           "functions",
+           "inchi",
+           "local_registry",
+           "nodes",
+           "query",
+           "registry",
+           "request",
+           "results",
+           "settings",
+           "specmodel"]

basemodel.py → vamdclib/basemodel.py

@@ -1,7 +1,12 @@
 # -*- coding: utf-8 -*-
-import functions 
-import numpy
 import sys
+import os
+import numpy
+
+if sys.version_info[0] == 3:
+    from . import functions
+else:
+    import functions
 
 NAMESPACE='http://vamdc.org/xml/xsams/1.0'
 
@@ -21,7 +26,7 @@ def get_attributes(element):
     """
     Returns a list of attributes-tuples (attribute, value) 
     """
-    return element.items()
+    return list(element.items())
 
 def convert_tabulateddata(item):
     """
@@ -140,7 +145,7 @@ def construct_model(dictionary):
                 elif len(code_add) > 0:
                     code = "self.xml.%s" % (code_add,)
                 else:
-                    print "ERROR --------" 
+                    print("ERROR --------") 
             else:
                 if function is not None:
                     if function == 'self':
@@ -233,7 +238,7 @@ def __repr__(self):
                     retval += "None "
             return retval
 
-    if model_definitions.has_key('methods'):
+    if 'methods' in model_definitions:
         for method in model_definitions['methods']:
             setattr(_Model, method['name'], method['method'])
 
@@ -247,14 +252,14 @@ def register_models(DICT_MODELS, module):
     DICT_MODELS: Dictionary which defines Classes and its properties
     """
     for model in DICT_MODELS['model_types']:
-        print "Register Class %s in %s" % (model['Name'], module.__name__)
+        print("Register Class %s in %s" % (model['Name'], module.__name__))
         model_class = _construct_class(model)
         setattr(sys.modules[__name__], model['Name'], model_class )
         setattr(module, model['Name'], model_class )
 
 
     for model in DICT_MODELS['dict_types']:
-        print "Register DictClass %s in %s" % (model['Name'], module.__name__)
+        print("Register DictClass %s in %s" % (model['Name'], module.__name__))
         setattr(module, model['Name'], _construct_dictmodelclass(model, module))