const
MaxChemElem = 103; { number of elements supported by CDATA }
{$IFDEF PAIDVERS}
SDLVersionInfo = 'cdata_r1200_full';
IsLightEd = false;
{$ELSE}
SDLVersionInfo = 'cdata_r1200_lighted';
IsLightEd = true;
{$ENDIF}
Release = 1200;
function AtomicNumber
(Symbol : string) { element symbol }
: integer; { atomic number }
function CElemName
(AtNr : integer) { atomic number }
: string; { element name }
function CElemSymb
(AtNr : integer) { atomic number }
: string; { element symbol }
function CheckCASNr
(CASNum : longint) { CAS registry number }
: boolean; { TRUE, if CASNr is OK }
function ChemAtWeight
(AtNr : integer) { atomic number }
: double; { chemical weight of element }
function CompressChemName
(Instring : string) { chemical name to compress }
: string; { compressed name }
function ConvertStrToCASNr
(InString : string; { CAS-No. as string }
var CASNr : longint) { CAS-No. as integer number }
: boolean; { TRUE, if OK }
function DeCompressChemName
(InString : string) { compressed substance name }
: string; { uncompressed name }
function ExactAtWeight
(AtNr : integer) { atomic number }
: double; { exact weight of most abund. isotope }
function FormatCASNr
(CASNr : longint) { CAS-No. }
: string; { CAS-No. as string }
function FullElectronConfig
(AtNr : integer) { atomic number }
: string; { electron configuration }
function GetEDXLines
(AtNr : integer; { atomic number }
var KAlpha, { K-alpha line }
LAlpha, { L-alpha line }
MLine : double) { M line }
: integer; overload; { number of valid lines }
function GetEDXLines
(LowEngy, { lower energy limit }
HighEngy : double; { upper energy limit }
var SortedLines : TDoubleArray; { list of sorted lines }
var SortedAtNr : TIntArray) { corresponding atomic number }
: integer; overload; { number of found lines }
function IntAtWeight
(AtNr : integer) { atomic number }
: integer; { nom. weight of most abund. isotope }
function NumOuterElectrons
(AtNr : integer) { atomic number }
: integer; { no. of outer electrons (valence) }
procedure PerSysCoord
(AtNr : integer; {atomic number }
var x,y : integer); { coordinates of that atom }
function ShortElectronConfig
(AtNr : integer) { atomic number }
: string; { electron configuration }
function VDWRadius
(AtNr : integer) { atomic number }
: double; { van der Waals radius }
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