XSElements.cxx

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/*
 * $Header$
 * $Log$
 */

#include <ctype.h>
#include <stdio.h>
#include <stdlib.h>
#include <string.h>

#include "XSElements.h"

//ClassImp(XSElement)

/* =================== XSElement ===================== */
XSElement::XSElement()
{
        z = 0;
        name    = NULL;
        symbol  = NULL;
        isotope = NULL;
        atomic_weight   = NULL;
        density = NULL;
        melting_point   = NULL;
        boiling_point   = NULL;
        oxidation_states        = NULL;
        isotope = NULL;
} // XSElement

/* ---------- ~XSElement ----------- */
XSElement::~XSElement()
{
        if (name)               free(name);
        if (symbol)             free(symbol);
        if (atomic_weight)      free(atomic_weight);
        if (density)            free(density);
        if (melting_point)      free(melting_point);
        if (boiling_point)      free(boiling_point);
        if (oxidation_states)   free(oxidation_states);
        for (int i=0; i<ni; i++) {
                free(isotope[i]);
                free(isotope_info[i]);
        }
        free(isotope);
        free(isotope_info);
        free(isotope_stable);
} // ~XSElement

/* ------- IsotopeInfo ------- */
// Search for information by name
const char*
XSElement::IsotopeInfo( const char *isot )
{
        for (int i=0; i<ni; i++)
                if (!strcmp(isotope[i],isot))
                        return isotope_info[i];

        return "-";
} // IsotopeInfo

/* ------- ReadLine ------- */
/* Reads one line and allocates a string for it */
char *
XSElement::ReadLine(FILE *f)
{
        char    buf[256];
        char    *p=buf;
        char    ch;

        /* skip leading spaces */
        do {
                ch=fgetc(f);
        } while (isspace(ch));

        do {
                *p++ = ch;
                ch = fgetc(f);
        } while (ch != '\n');
        *p = 0;
        return strdup(buf);
} /* ReadLine */

/* ------- Read -------- */
void
XSElement::Read(FILE *f)
{
        char    tmpsym[5], tmpname[30];
        fscanf(f,"%d %s %s %d",&z,tmpsym,tmpname,&ni);

        symbol = strdup(tmpsym);
        name = strdup(tmpname);

        if (ni==0) return;

        atomic_weight = ReadLine(f);
        density = ReadLine(f);
        melting_point = ReadLine(f);
        boiling_point = ReadLine(f);
        oxidation_states = ReadLine(f);

        isotope = (char **)malloc(ni*sizeof(char*));
        isotope_info = (char **)malloc(ni*sizeof(char*));
        isotope_stable = (Bool_t *)malloc(ni*sizeof(Bool_t));

        for (int i=0; i<ni; i++) {
                char    ch;
                char    buf[30];

                /* get first character */
                ch = fgetc(f);
                if (ch != '*')
                        ungetc(ch,f);   // Put it back

                fscanf(f,"%s",buf);
                isotope[i] = strdup(buf);
                isotope_info[i] = ReadLine(f);

                isotope_stable[i] = (ch=='*');
        }
} // Read

/* =================== XSElements ===================== */
//ClassImp(XSElements)

XSElements::XSElements(const char *filename)
{
        FILE    *f;

        if ((f=fopen(filename,"r"))==NULL) {
                fprintf(stderr,"XSElements::XSElements: Error opening file %s\n",filename);
                exit(0);
        }

        fscanf(f,"%d",&NElements);
        elements = new TObjArray(NElements);

        for (UInt_t i=0; i<NElements; i++) {
                elements->Add(new XSElement());
                ((XSElement*)(*elements)[i])->Read(f);
        }
        fclose(f);
} // XSElements

/* --------- ~XSElements ---------- */
XSElements::~XSElements()
{
        delete  elements;
} // ~XSElements

/* --------- Find ----------- */
UInt_t
XSElements::Find(const char *str)
{
        for (UInt_t z=1; z<=NElements; z++) {
                if (!strcmp(str,Name(z)))
                        return z;
                if (!strcmp(str,Mnemonic(z)))
                        return z;
        }
        return 0;
} // Find

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