fixed up use of == to test for string equality rather than .equals().

Signed-off-by: John May <john.wilkinsonmay@gmail.com>
Removed some unused local variables (PMD reports).

Signed-off-by: John May <john.wilkinsonmay@gmail.com>
Replaced single-character strings in StringBuffer.append() and replaced StringBuffer by StringBuilder where appropriate.

Signed-off-by: John May <john.wilkinsonmay@gmail.com>
Inlined test molecule creation from MoleculeFactory.java.

Signed-off-by: John May <john.wilkinsonmay@gmail.com>
Inlined test molecule creation from MoleculeFactory.java.

Signed-off-by: John May <john.wilkinsonmay@gmail.com>