From 45d4db947c5d37856d2f35c6bdbefca73972d4a0 Mon Sep 17 00:00:00 2001 From: Yalin Date: Fri, 12 Jul 2024 16:36:00 -0400 Subject: [PATCH] fix minor bug in htl module to prevent incorrect CAS indexing --- exposan/htl/_components.py | 3 +++ 1 file changed, 3 insertions(+) diff --git a/exposan/htl/_components.py b/exposan/htl/_components.py index 3d018564..ce031415 100644 --- a/exposan/htl/_components.py +++ b/exposan/htl/_components.py @@ -133,12 +133,15 @@ def create_components(set_thermo=True): # intentionally using the molecular formula and MW of water for C/N/P C = Component('C', search_ID='water', particle_size='Soluble', degradability='Undegradable', organic=False) + C._CAS = 'C' N = Component('N', search_ID='water', particle_size='Soluble', degradability='Undegradable', organic=False) + N._CAS = 'C' P = Component('P', search_ID='water', particle_size='Soluble', degradability='Undegradable', organic=False) + P._CAS = 'C' O2 = Component('O2', phase='g', particle_size='Dissolved gas', degradability='Undegradable', organic=False)