Compound parser

Relevant section in the xraylib documentation.

CompoundParser

The CompoundParser function will parse a chemical formula compoundString and will allocate a compoundData structure with the results if successful, otherwise NULL is returned. Chemical formulas may contain (nested) brackets, followed by an integer or real number (with a dot) subscript. Examples of accepted formulas are: H2O, Ca5(PO4)3F, Ca5(PO4)F0.33Cl0.33(OH)0.33.

AtomicNumberToSymbol

The AtomicNumberToSymbol function returns a pointer to a string containing the element for atomic number Z. If an error occurred, the NULL string is returned.

SymbolToAtomicNumber

The SymbolToAtomicNumber function returns the atomic number that corresponds with element symbol. If the element does not exist, 0 is returned.