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Interface of SDL_CData

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 }






Last Update: 2023-Feb-06