Added tests and code style checks for use in Jenkins.

ci.sh

@@ -0,0 +1,49 @@
+#!/bin/bash
+
+export PYTHONPATH=`pwd`:$PYTHONPATH
+
+# Set up virtual environment
+[ ! -e env ] || rm -rf env
+virtualenv --python=python2.7 env
+. env/bin/activate
+# Install testing packages
+pip install pep8 pylint pytest pytest-cov
+
+# Install requirements
+pip install numpy gr glfw PyOpenGL
+
+
+# PEP8 conformance check (will cause build failure if python files are not PEP8 conformant)
+pep8 $(find . -path ./env -prune -o -name "*.py" -print) | tee pep8.log
+if [[ ${PIPESTATUS[0]} -ne 0 ]]; then
+	echo "Failed PEP8 conformance check!";
+	exit 1;
+fi
+
+
+# PyLint code style check (will NOT cause build failure as pylint tends to overreact)
+if [[ ! -f pylintrc ]]; then
+	echo "pylintrc missing!";
+	exit 1;
+fi
+pylint --rcfile=pylintrc "--msg-template={path}:{line}: [{msg_id}({symbol}), {obj}] {msg}" $(find . -path ./env -prune -o -path ./tests -prune -o -name "*.py" -print) | tee pylint.log
+
+
+# Run py.test (will cause build failure if a test fails)
+if [[ ! -f pytest.ini ]]; then
+        echo "pytest.ini missing!";
+        exit 1;
+fi
+if [[ ! -f coveragerc ]]; then
+        echo "coveragerc missing!";
+        exit 1;
+fi
+py.test --cov-config coveragerc --cov-report html --cov . | tee py.test.log
+if [[ ${PIPESTATUS[0]} -ne 0 ]]; then
+        echo "Failed tests!";
+        exit 1;
+fi
+
+
+# Report build success
+exit 0

coveragerc

@@ -0,0 +1,3 @@
+[run]
+omit = env/*, setup.py, examples/*
+branch = True

mogli.py

@@ -214,8 +214,13 @@ def calculate_bonds(self, method='radii', param=None):
             # Bonds were calculated for this molecule already.
             # Reuse those, if the method and optional parameter are like those
             # provided to this function.
-            if self.bonds.method == method and self.bonds.param == param:
-                return
+            if self.bonds.method == method:
+                if self.bonds.param == param:
+                    return
+                elif param is None:
+                    # Allow reuse when default param is used.
+                    if method == 'radii' and self.bonds.param == 1.0:
+                        return
 
         if method == 'radii':
             radii = ATOM_VALENCE_RADII[self.atomic_numbers]
@@ -375,6 +380,10 @@ def show(molecule, width=500, height=500,
     if show_bonds:
         molecule.calculate_bonds(bonds_method, bonds_param)
 
+    # If GR3 was initialized earlier, it would use a different context, so
+    # it will be terminated first.
+    gr3.terminate()
+
     # Initialize GLFW and create an OpenGL context
     glfw.init()
     window = glfw.create_window(width, height, title, None, None)