Opened 2 years ago

Closed 2 years ago

#42 closed defect (fixed)

Change is_inorganic() method to default to None if no molecular formula

Reported by: Mike Dewhirst Owned by: Mike Dewhirst
Priority: medium Version: 1.x
Keywords: pbt inorganic formula Cc:

Description (last modified by Mike Dewhirst)

Until now, the auto-note created when figuring out which studies/test results are needed for asserting a chemical is not PBT relied upon is_inorganic() as the first "gate" to prove the assertion. If is_inorganic() returns True it gets used.

When testing a chemical with no molecular formula detected and none entered, returning True is incorrect.

This ticket adjust the return value to None if there is no formula and thereby passes the buck to subsequent tests.

The success test is seeing the following (aqueous solubility) "gate" or subsequent gates being triggered for PBT assertions.

Change History (2)

comment:1 by Mike Dewhirst, 2 years ago

Description: modified (diff)
Owner: set to Mike Dewhirst

comment:2 by Mike Dewhirst, 2 years ago

Resolution: fixed
Status: assignedclosed
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