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Internal Representation of Molecular Formulas


The internal representation of molecular formulas of the class TMolForm is as follows: for each kind of atom the atomic number, the atomic weight, and the number of atoms are stored. These three identifiers are organized as arrays with a maximum length of FormMaxEl. The number of valid entries of these arrays is defined by the property NumAtoms.

The figure below shows an example how the molecular formula is represented internally. The arrays are accessible by the properties AtNum, AtWgt, and AtCnt.

INTMFORM.gif

Molecular formulas can be input in three different ways:



Last Update: 2012-Oct-20