Commit 6ded3d8
committed
intra_substitutionCS_isomerization should not be its own reverse
Closes ReactionMechanismGenerator/RMG-Py#382
Also must reorder the tree since the rules are listed
in terms of templates that go
XSRJ;C;YJ
The tree must also obey this order in order for kinetics
to be determined correctly.
We should probably have a database test for this.1 parent 6c4505a commit 6ded3d8
File tree
1 file changed
+27
-27
lines changed- input/kinetics/families/intra_substitutionCS_isomerization
1 file changed
+27
-27
lines changedLines changed: 27 additions & 27 deletions
| Original file line number | Diff line number | Diff line change | |
|---|---|---|---|
| |||
7 | 7 | | |
8 | 8 | | |
9 | 9 | | |
10 | | - | |
| 10 | + | |
11 | 11 | | |
12 | 12 | | |
13 | 13 | | |
| |||
1555 | 1555 | | |
1556 | 1556 | | |
1557 | 1557 | | |
| 1558 | + | |
| 1559 | + | |
| 1560 | + | |
| 1561 | + | |
| 1562 | + | |
| 1563 | + | |
| 1564 | + | |
| 1565 | + | |
| 1566 | + | |
| 1567 | + | |
| 1568 | + | |
| 1569 | + | |
| 1570 | + | |
| 1571 | + | |
| 1572 | + | |
| 1573 | + | |
| 1574 | + | |
| 1575 | + | |
| 1576 | + | |
| 1577 | + | |
| 1578 | + | |
| 1579 | + | |
| 1580 | + | |
| 1581 | + | |
| 1582 | + | |
| 1583 | + | |
1558 | 1584 | | |
1559 | 1585 | | |
1560 | 1586 | | |
| |||
1637 | 1663 | | |
1638 | 1664 | | |
1639 | 1665 | | |
1640 | | - | |
1641 | | - | |
1642 | | - | |
1643 | | - | |
1644 | | - | |
1645 | | - | |
1646 | | - | |
1647 | | - | |
1648 | | - | |
1649 | | - | |
1650 | | - | |
1651 | | - | |
1652 | | - | |
1653 | | - | |
1654 | | - | |
1655 | | - | |
1656 | | - | |
1657 | | - | |
1658 | | - | |
1659 | | - | |
1660 | | - | |
1661 | | - | |
1662 | | - | |
1663 | | - | |
1664 | | - | |
1665 | | - | |
1666 | 1666 | | |
1667 | 1667 | | |
1668 | 1668 | | |
| |||
0 commit comments