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intra_substitutionCS_isomerization should not be its own reverse #64

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merged 1 commit into from
May 12, 2015
Merged

intra_substitutionCS_isomerization should not be its own reverse #64

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54 changes: 27 additions & 27 deletions input/kinetics/families/intra_substitutionCS_isomerization/groups.py
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Original file line number Diff line number Diff line change
Expand Up @@ -7,7 +7,7 @@

"""

template(reactants=["XSYJ"], products=["XSYJ"], ownReverse=True)
template(reactants=["XSYJ"], products=["XYSJ"], ownReverse=False)

recipe(actions=[
['BREAK_BOND', '*1', 'S', '*2'],
Expand Down Expand Up @@ -1555,6 +1555,32 @@
L3: XSR5J_SDD
L2: XSR6J
L2: XSR7J
L1: C
L2: Ct
L2: Cds-R
L2: C-RRR
L3: C-NonDe
L4: C-HHH
L4: C-CsHH
L4: C-CsCsH
L4: C-CsCsCs
L4: C-OneS
L5: C-SsHH
L5: C-SsCsH
L5: C-SsCsCs
L3: C-OneDe
L4: C-CdHH
L4: C-CdCsH
L4: C-CdCsCs
L4: C-CdSsH
L4: C-CdSsCs
L4: C-CdSsSs
L4: C-CtHH
L4: C-CtCsH
L4: C-CtCsCs
L4: C-CtSsH
L4: C-CtSsCs
L4: C-CtSsSs
L1: YJ
L2: CJ
L3: CdsJ
Expand Down Expand Up @@ -1637,32 +1663,6 @@
L6: CsJ-3-SsCdSs
L4: CsJ-3-SsTwoDe
L2: SJ-3
L1: C
L2: Ct
L2: Cds-R
L2: C-RRR
L3: C-NonDe
L4: C-HHH
L4: C-CsHH
L4: C-CsCsH
L4: C-CsCsCs
L4: C-OneS
L5: C-SsHH
L5: C-SsCsH
L5: C-SsCsCs
L3: C-OneDe
L4: C-CdHH
L4: C-CdCsH
L4: C-CdCsCs
L4: C-CdSsH
L4: C-CdSsCs
L4: C-CdSsSs
L4: C-CtHH
L4: C-CtCsH
L4: C-CtCsCs
L4: C-CtSsH
L4: C-CtSsCs
L4: C-CtSsSs
"""
)

Expand Down