chemical terms hCount does not equal atomCount("1"

How come hCount and atomCount("1") are not equal in chemical terms?

 

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Hi,

I moved this question over to the Chemical Terms part of the forum. My colleagues will answer soon.

BR,

Szabolcs

hCount returns the hydrogen count of an atom.

Example:

$ evaluate -e "hCount(0)" "CCO"
3

$ evaluate -e "hCount(1)" "CCO"
2

$ evaluate -e "hCount(2)" "CCO"
1

$ evaluate -e "hCount()" "CCO"
3

Documentation: http://www.chemaxon.com/marvin/help/chemicalterms/EvaluatorFunctions.html#hcount

The description does not mention that this function applies to an atom; we will fix it (anyway, it is mentioned in the example).

hCount() is equivalent with hCount(0).

 

atomCount("1") returns the number of hydrogens in the input molecule.

$ evaluate -e "atomCount('1')" "CCO"
6

Zsolt