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Allow five valent nitrogen for non-charge separated representation, s…

…ee pyridinone test case.

Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
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1 parent e7dafa6 commit e2253d3ca41bcaa3acae4c54e2b53582225eec53 @johnmay johnmay committed with egonw Mar 5, 2014
Showing with 3 additions and 3 deletions.
  1. +3 −3 base/standard/src/main/java/org/openscience/cdk/aromaticity/DaylightModel.java
@@ -265,8 +265,7 @@ private static boolean aromaticElement(int element) {
}
/**
- * The element (with only sigma bonds) has normal valence for the specified
- * charge.
+ * The element has normal valence for the specified charge.
*
* @param element atomic number
* @param charge formal charge
@@ -286,7 +285,8 @@ private static boolean normal(int element, int charge, int valence) {
return valence == 2;
if (charge == +1)
return valence == 4;
- return charge == 0 && valence == 3;
+ return charge == 0
+ && (valence == 3 || (valence == 5 && element == NITROGEN));
case OXYGEN:
case SULPHUR:
case SELENIUM:

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