The inverse of OEGetAtomicSymbol
, i.e. obtaining the atomic
numbers
from an atomic symbol, is performed by OEChem's OEGetAtomicNum
function. This function takes an const char*
argument and returns
an unsigned integer representing the atomic number. All the returned
string values for OEGetAtomicSymbol
are legitimate inputs.
Additionally, the atomic symbol is terminated by either a NUL character,
'\0'
, or a space. Empty symbols (of length zero) or symbols longer
than two characters return the value zero. The one or two characters of
the symbol are
considered case insensitive (i.e. the first character converted to
uppercase, and the second, if it exists, converted to lower case for
matching). The symbols ``D'' and ``T'' (representing deuterium and
tritium) return the value one (for hydrogen). If the atomic symbol isn't
recognized a value of zero is returned. OEGetAtomicNum
always
returns a value less than OEElemNo::MAXELEM
.