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place tricyclics before bicyclics, side ene before normal ene
to avoid failure of parent children checking; Note: side ene means there's double bond existing outside cyclics, normal ene means double bond inside cyclics
1 parent 8d45eca commit c4de9ce

1 file changed

Lines changed: 16 additions & 16 deletions

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input/thermo/groups/polycyclic.py

Lines changed: 16 additions & 16 deletions
Original file line numberDiff line numberDiff line change
@@ -8480,6 +8480,20 @@
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tree(
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"""
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L1: PolycyclicRing
8483+
L2: s2-3_5_5_5_ane
8484+
L2: s2-3_5d1_5_5_ene
8485+
L2: s2-3f0_5_5_5_ane
8486+
L2: s2-3f1_6_5_5_ane
8487+
L2: s2-3_5_5_5d1_ene
8488+
L2: s3-3_5_6_5_ane
8489+
L2: s2-4f1_5_6_7_ane
8490+
L2: s2-4f2_5_6_8_ane
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L2: s2-2f1_5_5_2_ane
8492+
L2: s2-3f1_5_5_6_ane
8493+
L2: s2-4f0_5_5_6_ane
8494+
L2: s2-4f1_5_5_7_ane
8495+
L2: s4-3f1_6_6_6_ane
8496+
L2: s3-3f1_6_5_6_ane
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L2: s1_3_3
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L3: s1_3_3_ane
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L3: s1_3_3_ene
@@ -8581,9 +8595,9 @@
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L2: s2_3_5
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L3: s2_3_5_ane
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L3: s2_3_5_ene
8584-
L4: s2_3_5_ene_1
8585-
L4: s2_3_5_ene_side
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L4: s2_3_5_ene_1_side
8599+
L4: s2_3_5_ene_1
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L4: s2_3_5_ene_side
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L2: s2_3_6
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L3: s2_3_6_ane
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L3: s2_3_6_ene
@@ -8811,20 +8825,6 @@
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L4: s4_6_8_ene_7
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L3: s4_6_8_diene
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L4: s4_6_8_diene_7_9
8814-
L2: s2-3_5_5_5_ane
8815-
L2: s2-3_5d1_5_5_ene
8816-
L2: s2-3f0_5_5_5_ane
8817-
L2: s2-3f1_6_5_5_ane
8818-
L2: s2-3_5_5_5d1_ene
8819-
L2: s3-3_5_6_5_ane
8820-
L2: s2-4f1_5_6_7_ane
8821-
L2: s2-4f2_5_6_8_ane
8822-
L2: s2-2f1_5_5_2_ane
8823-
L2: s2-3f1_5_5_6_ane
8824-
L2: s2-4f0_5_5_6_ane
8825-
L2: s2-4f1_5_5_7_ane
8826-
L2: s4-3f1_6_6_6_ane
8827-
L2: s3-3f1_6_5_6_ane
88288828
"""
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)
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