Commits

Author Commit Message Labels Comments Date
dalke
oops! Forgot to include this in version control
dalke
using the term "spec"
dalke
changed the machine name
dalke
Updated content with example of use
dalke
Basic project information
dalke
Changed the program name from "count_atoms" to "smiles_counts"
dalke
renamed "count_atoms" to "smiles_counts"
dalke
Renamed because this now computes atom AND bond counts
dalke
Simple hook to run the tests
dalke
Support more detailed error messages. This also meant
dalke
Added aromatic boron symbol support ([b])
dalke
Added support for counting bonds as well as atoms.
dalke
How to run the self-tests
dalke
Added generator for atom+bond counts
dalke
Test the atom/bond counts
dalke
Found the -G2 is VERY fast.
dalke
Added tests for errors.
dalke
Added more tests, including tests for error messages
dalke
Added some actions. Standardized machine names.
dalke
Added lots of actions. Some renaming.
dalke
don't need the '$' for the 2-letter elements
dalke
Program to dump the slightly process SMILES terms
dalke
Basic information about the elements, needed for SMILES processing
dalke
Added a program to dump the slightly processed token stream
dalke
Lots of changes in order to get the events to occur in just the right spots.
dalke
The makings of a test suite.
dalke
Trying to get all of the events to work correct.
dalke
Example program to count the number of atom symbols.
dalke
The OpenSMILES grammar as a Ragel definition