Universal database tests - #223

Merged

rwest merged 20 commits into

masterfrom

universalDatabase

Jun 13, 2014

Commits on Jun 13, 2014

Add more features to checkWellFormed in family.py

nyee
authored and
rwest
committed
f5e9131
Reworked the checkWellFormed in KineticsFamily for testing database.
rwest
committed
d0bd4a1
Improve error reporting in checkWellFormed
rwest
committed
228a7b6
Add databaseTester.py script for testing database

nyee
authored and
rwest
committed
baf345c
Changed output format for databaseTest

nyee
authored and
rwest
committed
865f7c7
Fix parsing error for products in database checking

nyee
authored and
rwest
committed
237bc5f
Find database path from settings when running databaseTester script.

connie
authored and
rwest
committed
9c659c0
When checking database, print out adjlists and logicOR groups

connie
authored and
rwest
committed
681896f
The beginnings of reformulating the database tests into working unittests.

connie
authored and
rwest
committed
1e215e7
Store the children of product groups when they are generated by RMG.

connie
authored and
rwest
committed
176ce1a
Unittest for checking whether groups are found in tree now working.

connie
authored and
rwest
committed
12870ca
Fix incorrect error msg in rmgpy.molecule findSubgraphIsomophisms function.

connie
authored and
rwest
committed
abedf4a
Add more detailed docstring to matchNodeToStructure function.

connie
authored and
rwest
committed
e8f24d6
Define function matchNodeToNode for checking if groups are identical.

connie
authored and
rwest
committed
79ebd3c
A set of unittests for the matchNodeToStructure and matchNodeToNode functions

connie
authored and
rwest
committed
efccf1d
Added unittest for checking if groups are nonidentical in databaseTest

connie
authored and
rwest
committed
73c2d54
Add incomplete child testing function matchNodeToChild to rmgpy.data.base

connie
authored and
rwest
committed
d5fca81
Add work in progress parent-child relationship unittest to databaseTest

connie
authored and
rwest
committed
9780ec4
Move databaseTest into rmgpy folder so it gets checked during `make test.`

connie
authored and
rwest
committed
475caef
Temporary tweak to .travis.yml for universalDatabase branch
rwest
committed
b093ca7

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Universal database tests - #223

Universal database tests#223
rwest merged 20 commits into
masterfrom
universalDatabase

Commits on Jun 13, 2014

Add more features to checkWellFormed in family.py

Reworked the checkWellFormed in KineticsFamily for testing database.

Improve error reporting in checkWellFormed

Add databaseTester.py script for testing database

Changed output format for databaseTest

Fix parsing error for products in database checking

Find database path from settings when running databaseTester script.

When checking database, print out adjlists and logicOR groups

The beginnings of reformulating the database tests into working unittests.

Store the children of product groups when they are generated by RMG.

Unittest for checking whether groups are found in tree now working.

Fix incorrect error msg in rmgpy.molecule findSubgraphIsomophisms function.

Add more detailed docstring to matchNodeToStructure function.

Define function matchNodeToNode for checking if groups are identical.

A set of unittests for the matchNodeToStructure and matchNodeToNode functions

Added unittest for checking if groups are nonidentical in databaseTest

Add incomplete child testing function matchNodeToChild to rmgpy.data.base

Add work in progress parent-child relationship unittest to databaseTest

Move databaseTest into rmgpy folder so it gets checked during `make test.`

Temporary tweak to .travis.yml for universalDatabase branch