C++ vector_fp::end方法代码示例

void Phase::init(const vector_fp& mw)
{
    m_kk = mw.size();
    m_rmolwts.resize(m_kk);
    m_y.resize(m_kk, 0.0);
    m_ym.resize(m_kk, 0.0);
    copy(mw.begin(), mw.end(), m_molwts.begin());
    for (size_t k = 0; k < m_kk; k++) {
        if (m_molwts[k] < 0.0) {
            throw CanteraError("Phase::init",
                               "negative molecular weight for species number "
                               + int2str(k));
        }

        // Some surface phases may define species representing empty sites
        // that have zero molecular weight. Give them a very small molecular
        // weight to avoid dividing by zero.
        if (m_molwts[k] < Tiny) {
            m_molwts[k] = Tiny;
        }
        m_rmolwts[k] = 1.0/m_molwts[k];
    }

    // Now that we have resized the State object, let's fill it with a valid
    // mass fraction vector that sums to one. The Phase object should never
    // have a mass fraction vector that doesn't sum to one. We will assume that
    // species 0 has a mass fraction of 1.0 and mass fraction of all other
    // species is 0.0.
    m_y[0] = 1.0;
    m_ym[0] = m_y[0] * m_rmolwts[0];
    m_mmw = 1.0 / m_ym[0];
}

void ThermoPhase::setElementPotentials(const vector_fp& lambda)
{
    size_t mm = nElements();
    if (lambda.size() < mm) {
        throw CanteraError("setElementPotentials", "lambda too small");
    }
    if (!m_hasElementPotentials) {
        m_lambdaRRT.resize(mm);
    }
    scale(lambda.begin(), lambda.end(), m_lambdaRRT.begin(), 1.0/RT());
    m_hasElementPotentials = true;
}

  /*
   * Vector xpts contains a monotonic sequence of grid points, and 
   * vector fpts contains function values defined at these points.
   * The value returned is the linear interpolate at point x.
   * If x is outside the range of xpts, the value of fpts at the 
   * nearest end is returned.
   *
   * @param x value of the x coordinate
   * @param xpts value of the grid points
   * @param fpts value of the interpolant at the grid points
   *
   * @return Returned value is the value of of the interpolated
   *         function at x.
   */
  doublereal linearInterp(doublereal x, const vector_fp& xpts, 
			  const vector_fp& fpts) {
    if (x <= xpts[0]) 
      return fpts[0];
    if (x >= xpts.back()) 
      return fpts.back();
    vector_fp::const_iterator loc = 
      lower_bound(xpts.begin(), xpts.end(), x);
    int iloc = int(loc - xpts.begin()) - 1;
    doublereal ff = fpts[iloc] + 
      (x - xpts[iloc])*(fpts[iloc + 1] 
			- fpts[iloc])/(xpts[iloc + 1] - xpts[iloc]);
    return ff;
  }

void ElemRearrange(size_t nComponents, const vector_fp& elementAbundances,
                   MultiPhase* mphase,
                   std::vector<size_t>& orderVectorSpecies,
                   std::vector<size_t>& orderVectorElements)
{
    size_t nelements = mphase->nElements();
    // Get the total number of species in the multiphase object
    size_t nspecies = mphase->nSpecies();

    if (BasisOptimize_print_lvl > 0) {
        writelog("   ");
        writeline('-', 77);
        writelog("   --- Subroutine ElemRearrange() called to ");
        writelog("check stoich. coefficient matrix\n");
        writelog("   ---    and to rearrange the element ordering once\n");
    }

    // Perhaps, initialize the element ordering
    if (orderVectorElements.size() < nelements) {
        orderVectorElements.resize(nelements);
        for (size_t j = 0; j < nelements; j++) {
            orderVectorElements[j] = j;
        }
    }

    // Perhaps, initialize the species ordering. However, this is dangerous, as
    // this ordering is assumed to yield the component species for the problem
    if (orderVectorSpecies.size() != nspecies) {
        orderVectorSpecies.resize(nspecies);
        for (size_t k = 0; k < nspecies; k++) {
            orderVectorSpecies[k] = k;
        }
    }

    // If the elementAbundances aren't input, just create a fake one based on
    // summing the column of the stoich matrix. This will force elements with
    // zero species to the end of the element ordering.
    vector_fp eAbund(nelements,0.0);
    if (elementAbundances.size() != nelements) {
        for (size_t j = 0; j < nelements; j++) {
            eAbund[j] = 0.0;
            for (size_t k = 0; k < nspecies; k++) {
                eAbund[j] += fabs(mphase->nAtoms(k, j));
            }
        }
    } else {
        copy(elementAbundances.begin(), elementAbundances.end(),
             eAbund.begin());
    }

    vector_fp sa(nelements,0.0);
    vector_fp ss(nelements,0.0);
    vector_fp sm(nelements*nelements,0.0);

    // Top of a loop of some sort based on the index JR. JR is the current
    // number independent elements found.
    size_t jr = 0;
    while (jr < nComponents) {
        // Top of another loop point based on finding a linearly independent
        // element
        size_t k = nelements;
        while (true) {
            // Search the element vector. We first locate elements that are
            // present in any amount. Then, we locate elements that are not
            // present in any amount. Return its identity in K.
            size_t kk;
            for (size_t ielem = jr; ielem < nelements; ielem++) {
                kk = orderVectorElements[ielem];
                if (eAbund[kk] != USEDBEFORE && eAbund[kk] > 0.0) {
                    k = ielem;
                    break;
                }
            }
            for (size_t ielem = jr; ielem < nelements; ielem++) {
                kk = orderVectorElements[ielem];
                if (eAbund[kk] != USEDBEFORE) {
                    k = ielem;
                    break;
                }
            }

            if (k == nelements) {
                // When we are here, there is an error usually.
                // We haven't found the number of elements necessary.
                if (BasisOptimize_print_lvl > 0) {
                    writelogf("Error exit: returning with nComponents = %d\n", jr);
                }
                throw CanteraError("ElemRearrange", "Required number of elements not found.");
            }

            // Assign a large negative number to the element that we have
            // just found, in order to take it out of further consideration.
            eAbund[kk] = USEDBEFORE;

            // CHECK LINEAR INDEPENDENCE OF CURRENT FORMULA MATRIX
            // LINE WITH PREVIOUS LINES OF THE FORMULA MATRIX

            // Modified Gram-Schmidt Method, p. 202 Dalquist
            // QR factorization of a matrix without row pivoting.
            size_t jl = jr;
//.........这里部分代码省略.........

//.........这里部分代码省略.........
        orderVectorElements.resize(nelements);
        for (j = 0; j < nelements; j++) {
            orderVectorElements[j] = j;
        }
    }

    /*
     * Perhaps, initialize the species ordering. However, this is
     * dangerous, as this ordering is assumed to yield the
     * component species for the problem
     */
    if (orderVectorSpecies.size() != nspecies) {
        orderVectorSpecies.resize(nspecies);
        for (k = 0; k < nspecies; k++) {
            orderVectorSpecies[k] = k;
        }
    }

    /*
     * If the elementAbundances aren't input, just create a fake one
     * based on summing the column of the stoich matrix.
     * This will force elements with zero species to the
     * end of the element ordering.
     */
    vector_fp eAbund(nelements,0.0);
    if (elementAbundances.size() != nelements) {
        for (j = 0; j < nelements; j++) {
            eAbund[j] = 0.0;
            for (k = 0; k < nspecies; k++) {
                eAbund[j] += fabs(mphase->nAtoms(k, j));
            }
        }
    } else {
        copy(elementAbundances.begin(), elementAbundances.end(),
             eAbund.begin());
    }

    vector_fp sa(nelements,0.0);
    vector_fp ss(nelements,0.0);
    vector_fp sm(nelements*nelements,0.0);

    /*
     *        Top of a loop of some sort based on the index JR. JR is the
     *       current number independent elements found.
     */
    jr = npos;
    do {
        ++jr;
        /*
         *     Top of another loop point based on finding a linearly
         *     independent element
         */
        do {
            /*
             *    Search the element vector. We first locate elements that
             *    are present in any amount. Then, we locate elements that
             *    are not present in any amount.
             *    Return its identity in K.
             */
            k = nelements;
            for (ielem = jr; ielem < nelements; ielem++) {
                kk = orderVectorElements[ielem];
                if (eAbund[kk] != test && eAbund[kk] > 0.0) {
                    k = ielem;
                    break;
                }