Activity for Rajarshi Guha
-
Rajarshi Guha committed [e1895e]
Ensure we check for unset mass number
-
Added support to generate molecular formula that includes mass number of non-major isotopes are present. This can be useful in formula generation
-
Updated handling of mass nunber in formula string generation
-
Added two test cases for bugs in IsotopePattern...
-
Gives a non-zero value when solvent radius = 0. Can you update the bug report to...
-
The problem is resolved in master. Unfortunately I can't remember nmy sf.net login...
-
Updated misleading Javadoc
-
Ensure that we reset visited flag each time we ...
-
SMILESReader silently fails to read molecules that can't be kekulized
-
I hadn't seen this specific example in 1.4.x so I can't say whether this also happened...
-
Rendering charged species does not display charge
1