diff --git a/include/cantera/equil/vcs_internal.h b/include/cantera/equil/vcs_internal.h index 4d103a67c..aefadead8 100644 --- a/include/cantera/equil/vcs_internal.h +++ b/include/cantera/equil/vcs_internal.h @@ -17,13 +17,6 @@ namespace Cantera */ #define plogf writelogf -//! define this Cantera function to replace cout << endl; -/*! - * We use this to place an endl in the log file, and ensure that the IO buffers - * are flushed. - */ -#define plogendl() writelogendl() - //! Global hook for turning on and off time printing. /*! * Default is to allow printing. But, you can assign this to zero globally to diff --git a/src/equil/vcs_MultiPhaseEquil.cpp b/src/equil/vcs_MultiPhaseEquil.cpp index 6ed8dc840..54e119b08 100644 --- a/src/equil/vcs_MultiPhaseEquil.cpp +++ b/src/equil/vcs_MultiPhaseEquil.cpp @@ -183,9 +183,8 @@ int vcs_MultiPhaseEquil::equilibrate_HP(doublereal Htarget, double Tmoles = pmoles[0]; double HperMole = Hnow/Tmoles; if (printLvl > 0) { - plogf("T = %g, Hnow = %g ,Tmoles = %g, HperMole = %g", + plogf("T = %g, Hnow = %g ,Tmoles = %g, HperMole = %g\n", Tnow, Hnow, Tmoles, HperMole); - plogendl(); } // the equilibrium enthalpy monotonically increases with T; diff --git a/src/equil/vcs_elem_rearrange.cpp b/src/equil/vcs_elem_rearrange.cpp index 1c9b98259..dce1dee98 100644 --- a/src/equil/vcs_elem_rearrange.cpp +++ b/src/equil/vcs_elem_rearrange.cpp @@ -21,14 +21,10 @@ int VCS_SOLVE::vcs_elem_rearrange(double* const aw, double* const sa, size_t ncomponents = m_numComponents; if (m_debug_print_lvl >= 2) { plogf(" "); - for (size_t i=0; i<77; i++) { - plogf("-"); - } - plogf("\n"); + writeline('-', 77); plogf(" --- Subroutine elem_rearrange() called to "); plogf("check stoich. coefficient matrix\n"); - plogf(" --- and to rearrange the element ordering once"); - plogendl(); + plogf(" --- and to rearrange the element ordering once\n"); } // Use a temporary work array for the element numbers @@ -121,12 +117,9 @@ int VCS_SOLVE::vcs_elem_rearrange(double* const aw, double* const sa, // REARRANGE THE DATA if (jr != k) { if (m_debug_print_lvl >= 2) { - plogf(" --- "); - plogf("%-2.2s", m_elementName[k]); - plogf("(%9.2g) replaces ", m_elemAbundancesGoal[k]); - plogf("%-2.2s", m_elementName[jr]); - plogf("(%9.2g) as element %3d", m_elemAbundancesGoal[jr], jr); - plogendl(); + plogf(" --- %-2.2s(%9.2g) replaces %-2.2s(%9.2g) as element %3d\n", + m_elementName[k], m_elemAbundancesGoal[k], + m_elementName[jr], m_elemAbundancesGoal[jr], jr); } vcs_switch_elem_pos(jr, k); std::swap(aw[jr], aw[k]); diff --git a/src/equil/vcs_inest.cpp b/src/equil/vcs_inest.cpp index 12ef27085..1be483f86 100644 --- a/src/equil/vcs_inest.cpp +++ b/src/equil/vcs_inest.cpp @@ -36,9 +36,7 @@ void VCS_SOLVE::vcs_inest(double* const aw, double* const sa, double* const sm, plogf(" %15.5g %12.3g\n", m_molNumSpecies_old[kspec], -m_SSfeSpecies[kspec]); } plogf("%s Element Abundance Agreement returned from linear " - "programming (vcs_inest initial guess):", - pprefix); - plogendl(); + "programming (vcs_inest initial guess):\n", pprefix); plogf("%s Element Goal Actual\n", pprefix); for (size_t j = 0; j < m_numElemConstraints; j++) { if (m_elementActive[j]) { @@ -51,7 +49,7 @@ void VCS_SOLVE::vcs_inest(double* const aw, double* const sa, double* const sm, plogf(" %12.3g %12.3g\n", m_elemAbundancesGoal[j], tmp); } } - plogendl(); + writelogendl(); } // Make sure all species have positive definite mole numbers Set voltages to @@ -182,7 +180,7 @@ void VCS_SOLVE::vcs_inest(double* const aw, double* const sa, double* const sm, plogf(" (ssPhase doesn't exist -> stability not checked)"); } } - plogendl(); + writelogendl(); } } } @@ -272,10 +270,8 @@ void VCS_SOLVE::vcs_inest(double* const aw, double* const sa, double* const sm, pprefix); plogf("%s SPECIES MOLE_NUMBER\n", pprefix); for (size_t kspec = 0; kspec < nspecies; ++kspec) { - plogf("%s ", pprefix); - plogf("%-12.12s", m_speciesName[kspec]); - plogf(" %g", m_molNumSpecies_old[kspec]); - plogendl(); + plogf("%s %-12.12s %g\n", + pprefix, m_speciesName[kspec], m_molNumSpecies_old[kspec]); } } } @@ -291,15 +287,13 @@ int VCS_SOLVE::vcs_inest_TP() if (m_debug_print_lvl >= 2) { plogf("%s Initial guess passed element abundances on input\n", pprefix); plogf("%s m_doEstimateEquil = 1 so will use the input mole " - "numbers as estimates", pprefix); - plogendl(); + "numbers as estimates\n", pprefix); } return retn; } else if (m_debug_print_lvl >= 2) { plogf("%s Initial guess failed element abundances on input\n", pprefix); plogf("%s m_doEstimateEquil = 1 so will discard input " - "mole numbers and find our own estimate", pprefix); - plogendl(); + "mole numbers and find our own estimate\n", pprefix); } } @@ -311,9 +305,8 @@ int VCS_SOLVE::vcs_inest_TP() // Go get the estimate of the solution if (m_debug_print_lvl >= 2) { - plogf("%sGo find an initial estimate for the equilibrium problem", + plogf("%sGo find an initial estimate for the equilibrium problem\n", pprefix); - plogendl(); } double test = -1.0E20; vcs_inest(&aw[0], &sa[0], &sm[0], &ss[0], test); @@ -332,8 +325,7 @@ int VCS_SOLVE::vcs_inest_TP() if (!vcs_elabcheck(0)) { if (m_debug_print_lvl >= 2) { plogf("%sInitial guess failed element abundances\n", pprefix); - plogf("%sCall vcs_elcorr to attempt fix", pprefix); - plogendl(); + plogf("%sCall vcs_elcorr to attempt fix\n", pprefix); } vcs_elcorr(&sm[0], &aw[0]); rangeCheck = vcs_elabcheck(1); @@ -341,43 +333,37 @@ int VCS_SOLVE::vcs_inest_TP() plogf("%sInitial guess still fails element abundance equations\n", pprefix); plogf("%s - Inability to ever satisfy element abundance " - "constraints is probable", pprefix); - plogendl(); + "constraints is probable\n", pprefix); retn = -1; } else { if (m_debug_print_lvl >= 2) { if (rangeCheck) { - plogf("%sInitial guess now satisfies element abundances", pprefix); - plogendl(); + plogf("%sInitial guess now satisfies element abundances\n", pprefix); } else { plogf("%sElement Abundances RANGE ERROR\n", pprefix); plogf("%s - Initial guess satisfies NC=%d element abundances, " - "BUT not NE=%d element abundances", pprefix, + "BUT not NE=%d element abundances\n", pprefix, m_numComponents, m_numElemConstraints); - plogendl(); } } } } else { if (m_debug_print_lvl >= 2) { if (rangeCheck) { - plogf("%sInitial guess satisfies element abundances", pprefix); - plogendl(); + plogf("%sInitial guess satisfies element abundances\n", pprefix); } else { plogf("%sElement Abundances RANGE ERROR\n", pprefix); plogf("%s - Initial guess satisfies NC=%d element abundances, " - "BUT not NE=%d element abundances", pprefix, + "BUT not NE=%d element abundances\n", pprefix, m_numComponents, m_numElemConstraints); - plogendl(); } } } if (m_debug_print_lvl >= 2) { - plogf("%sTotal Dimensionless Gibbs Free Energy = %15.7E", pprefix, + plogf("%sTotal Dimensionless Gibbs Free Energy = %15.7E\n", pprefix, vcs_Total_Gibbs(&m_molNumSpecies_old[0], &m_feSpecies_new[0], &m_tPhaseMoles_old[0])); - plogendl(); } // Record time diff --git a/src/equil/vcs_nondim.cpp b/src/equil/vcs_nondim.cpp index d98817109..933d18c33 100644 --- a/src/equil/vcs_nondim.cpp +++ b/src/equil/vcs_nondim.cpp @@ -64,8 +64,7 @@ void VCS_SOLVE::vcs_nondim_TP() if (m_totalMoleScale != 1.0) { if (m_debug_print_lvl >= 2) { - plogf(" --- vcs_nondim_TP() called: USING A MOLE SCALE OF %g until further notice", m_totalMoleScale); - plogendl(); + plogf(" --- vcs_nondim_TP() called: USING A MOLE SCALE OF %g until further notice\n", m_totalMoleScale); } for (size_t i = 0; i < m_numSpeciesTot; ++i) { if (m_speciesUnknownType[i] != VCS_SPECIES_TYPE_INTERFACIALVOLTAGE) { @@ -106,8 +105,7 @@ void VCS_SOLVE::vcs_redim_TP() } if (m_totalMoleScale != 1.0) { if (m_debug_print_lvl >= 2) { - plogf(" --- vcs_redim_TP() called: getting rid of mole scale of %g", m_totalMoleScale); - plogendl(); + plogf(" --- vcs_redim_TP() called: getting rid of mole scale of %g\n", m_totalMoleScale); } for (size_t i = 0; i < m_numSpeciesTot; ++i) { if (m_speciesUnknownType[i] != VCS_SPECIES_TYPE_INTERFACIALVOLTAGE) { diff --git a/src/equil/vcs_rxnadj.cpp b/src/equil/vcs_rxnadj.cpp index 0979527dd..97245a94a 100644 --- a/src/equil/vcs_rxnadj.cpp +++ b/src/equil/vcs_rxnadj.cpp @@ -264,16 +264,12 @@ size_t VCS_SOLVE::vcs_RxnStepSizes(int& forceComponentCalc, size_t& kSpecial) plogf(" %12.4E %12.4E %12.4E | %s\n", m_molNumSpecies_old[kspec], m_deltaMolNumSpecies[kspec], m_deltaGRxn_new[irxn], ANOTE); - plogf(" --- vcs_RxnStepSizes Special section to set up to delete %s", + plogf(" --- vcs_RxnStepSizes Special section to set up to delete %s\n", m_speciesName[k]); - plogendl(); } if (k != kspec) { forceComponentCalc = 1; - if (m_debug_print_lvl >= 2) { - plogf(" --- Force a component recalculation \n"); - plogendl(); - } + debuglog(" --- Force a component recalculation\n\n", m_debug_print_lvl >= 2); } if (m_debug_print_lvl >= 2) { plogf(" "); diff --git a/src/equil/vcs_solve_TP.cpp b/src/equil/vcs_solve_TP.cpp index 2efcc903c..fcf539673 100644 --- a/src/equil/vcs_solve_TP.cpp +++ b/src/equil/vcs_solve_TP.cpp @@ -128,21 +128,19 @@ int VCS_SOLVE::vcs_solve_TP(int print_lvl, int printDetails, int maxit) writeline(' ', std::max(55-int(m_numElemConstraints)*8, 0), false); plogf("%12.5E %12.5E", RT * m_SSfeSpecies[i], m_molNumSpecies_old[i]); if (m_speciesUnknownType[i] == VCS_SPECIES_TYPE_MOLNUM) { - plogf(" Mol_Num"); + plogf(" Mol_Num\n"); } else if (m_speciesUnknownType[i] == VCS_SPECIES_TYPE_INTERFACIALVOLTAGE) { - plogf(" Voltage"); + plogf(" Voltage\n"); } else { - plogf(" Unknown"); + plogf(" Unknown\n"); } - plogendl(); } } for (size_t i = 0; i < m_numSpeciesTot; ++i) { if (m_molNumSpecies_old[i] < 0.0) { - plogf("On Input species %-12s has a negative MF, setting it small", + plogf("On Input species %-12s has a negative MF, setting it small\n", m_speciesName[i]); - plogendl(); size_t iph = m_phaseID[i]; double tmp = m_tPhaseMoles_old[iph] * VCS_RELDELETE_SPECIES_CUTOFF * 10; tmp = std::max(tmp, VCS_DELETE_MINORSPECIES_CUTOFF*10.); @@ -236,8 +234,7 @@ int VCS_SOLVE::vcs_solve_TP(int print_lvl, int printDetails, int maxit) if (npb > 0) { iti = 0; if (m_debug_print_lvl >= 1) { - plogf(" --- add_all_deleted(): some rxns not converged. RETURNING TO LOOP!"); - plogendl(); + plogf(" --- add_all_deleted(): some rxns not converged. RETURNING TO LOOP!\n"); } stage = MAIN; } else { @@ -307,19 +304,15 @@ int VCS_SOLVE::solve_tp_component_calc(bool& allMinorZeroedSpecies) // EVALUATE THE ELELEMT ABUNDANCE CHECK if (! vcs_elabcheck(0)) { - if (m_debug_print_lvl >= 2) { - plogf(" --- Element Abundance check failed"); - plogendl(); - } + debuglog(" --- Element Abundance check failed\n", m_debug_print_lvl >= 2); vcs_elcorr(&m_sm[0], &m_wx[0]); vcs_setFlagsVolPhases(false, VCS_STATECALC_OLD); vcs_dfe(VCS_STATECALC_OLD, 0, 0, m_numSpeciesRdc); // Update the phase objects with the contents of the soln vector vcs_updateVP(VCS_STATECALC_OLD); vcs_deltag(0, false, VCS_STATECALC_OLD); - } else if (m_debug_print_lvl >= 2) { - plogf(" --- Element Abundance check passed"); - plogendl(); + } else { + debuglog(" --- Element Abundance check passed\n", m_debug_print_lvl >= 2); } return retn; } @@ -430,10 +423,7 @@ void VCS_SOLVE::solve_tp_inner(size_t& iti, size_t& it1, // m_molNumSpecies_old[kspec] m_molNumSpecies_new[kspec] Species Mole Numbers // m_deltaMolNumSpecies[kspec] Delta in the Species Mole Numbers if (iphaseDelete != npos) { - if (m_debug_print_lvl >= 2) { - plogf(" --- Main Loop Treatment -> Circumvented due to Phase Deletion "); - plogendl(); - } + debuglog(" --- Main Loop Treatment -> Circumvented due to Phase Deletion\n", m_debug_print_lvl >= 2); for (size_t k = 0; k < m_numSpeciesTot; k++) { m_molNumSpecies_new[k] = m_molNumSpecies_old[k] + m_deltaMolNumSpecies[k]; size_t iph = m_phaseID[k]; @@ -584,12 +574,9 @@ void VCS_SOLVE::solve_tp_inner(size_t& iti, size_t& it1, dx = 0.0; sprintf(ANOTE,"minor species not considered"); if (m_debug_print_lvl >= 2) { - plogf(" --- "); - plogf("%-12s", m_speciesName[kspec]); - plogf("%3d% 11.4E %11.4E %11.4E | %s", - m_speciesStatus[kspec], m_molNumSpecies_old[kspec], m_molNumSpecies_new[kspec], + plogf(" --- %-12s%3d% 11.4E %11.4E %11.4E | %s\n", + m_speciesName[kspec], m_speciesStatus[kspec], m_molNumSpecies_old[kspec], m_molNumSpecies_new[kspec], m_deltaMolNumSpecies[kspec], ANOTE); - plogendl(); } continue; } @@ -614,9 +601,8 @@ void VCS_SOLVE::solve_tp_inner(size_t& iti, size_t& it1, // DELETE MINOR SPECIES LESS THAN VCS_DELETE_SPECIES_CUTOFF // MOLE NUMBER if (m_debug_print_lvl >= 2) { - plogf(" --- Delete minor species in multispec phase: %-12s", + plogf(" --- Delete minor species in multispec phase: %-12s\n", m_speciesName[kspec]); - plogendl(); } m_deltaMolNumSpecies[kspec] = 0.0; @@ -651,12 +637,9 @@ void VCS_SOLVE::solve_tp_inner(size_t& iti, size_t& it1, dx = 0.0; sprintf(ANOTE, "major species is converged"); if (m_debug_print_lvl >= 2) { - plogf(" --- "); - plogf("%-12s", m_speciesName[kspec]); - plogf(" %3d %11.4E %11.4E %11.4E | %s", - m_speciesStatus[kspec], m_molNumSpecies_old[kspec], m_molNumSpecies_new[kspec], + plogf(" --- %-12s %3d %11.4E %11.4E %11.4E | %s\n", + m_speciesName[kspec], m_speciesStatus[kspec], m_molNumSpecies_old[kspec], m_molNumSpecies_new[kspec], m_deltaMolNumSpecies[kspec], ANOTE); - plogendl(); } continue; } @@ -745,8 +728,7 @@ void VCS_SOLVE::solve_tp_inner(size_t& iti, size_t& it1, doPhaseDeleteKspec = kspec; if (m_debug_print_lvl >= 2 && m_speciesStatus[kspec] >= 0) { plogf(" --- SS species changed to zeroedss: "); - plogf("%-12s", m_speciesName[kspec]); - plogendl(); + plogf("%-12s\n", m_speciesName[kspec]); } m_speciesStatus[kspec] = VCS_SPECIES_ZEROEDSS; ++m_numRxnMinorZeroed; @@ -799,21 +781,16 @@ void VCS_SOLVE::solve_tp_inner(size_t& iti, size_t& it1, // Branch point for returning if (m_debug_print_lvl >= 2) { m_molNumSpecies_new[kspec] = m_molNumSpecies_old[kspec] + m_deltaMolNumSpecies[kspec]; - plogf(" --- "); - plogf("%-12.12s", m_speciesName[kspec]); - plogf("%3d %11.4E %11.4E %11.4E | %s", - m_speciesStatus[kspec], m_molNumSpecies_old[kspec], - m_molNumSpecies_new[kspec], + plogf(" --- %-12.12s%3d %11.4E %11.4E %11.4E | %s\n", + m_speciesName[kspec], m_speciesStatus[kspec], + m_molNumSpecies_old[kspec], m_molNumSpecies_new[kspec], m_deltaMolNumSpecies[kspec], ANOTE); - plogendl(); } if (doPhaseDeleteIph != npos) { if (m_debug_print_lvl >= 2) { - plogf(" --- "); - plogf("%-12.12s Main Loop Special Case deleting phase with species: ", + plogf(" --- %-12.12s Main Loop Special Case deleting phase with species:\n", m_speciesName[doPhaseDeleteKspec]); - plogendl(); } break; } @@ -828,8 +805,7 @@ void VCS_SOLVE::solve_tp_inner(size_t& iti, size_t& it1, } plogf(" "); writeline('-', 80); - plogf(" --- Finished Main Loop"); - plogendl(); + plogf(" --- Finished Main Loop\n"); } // LIMIT REDUCTION OF BASIS SPECIES TO 99% @@ -858,10 +834,8 @@ void VCS_SOLVE::solve_tp_inner(size_t& iti, size_t& it1, // Reduce the size of the step by the multiplicative factor, par par *= 0.99; if (m_debug_print_lvl >= 2) { - plogf(" --- Reduction in step size due to component "); - plogf("%s", m_speciesName[ll]); - plogf(" going negative = %11.3E", par); - plogendl(); + plogf(" --- Reduction in step size due to component %s going negative = %11.3E\n", + m_speciesName[ll], par); } for (size_t i = 0; i < m_numSpeciesTot; ++i) { m_deltaMolNumSpecies[i] *= par; @@ -913,10 +887,9 @@ void VCS_SOLVE::solve_tp_inner(size_t& iti, size_t& it1, plogf(" --- Total Old Dimensionless Gibbs Free Energy = %20.13E\n", vcs_Total_Gibbs(&m_molNumSpecies_old[0], &m_feSpecies_old[0], &m_tPhaseMoles_old[0])); - plogf(" --- Total tentative Dimensionless Gibbs Free Energy = %20.13E", + plogf(" --- Total tentative Dimensionless Gibbs Free Energy = %20.13E\n", vcs_Total_Gibbs(&m_molNumSpecies_new[0], &m_feSpecies_new[0], &m_tPhaseMoles_new[0])); - plogendl(); } bool forced = vcs_globStepDamp(); @@ -954,8 +927,7 @@ void VCS_SOLVE::solve_tp_inner(size_t& iti, size_t& it1, plogf(" Total New Dimensionless Gibbs Free Energy = %20.13E\n", vcs_Total_Gibbs(&m_molNumSpecies_new[0], &m_feSpecies_new[0], &m_tPhaseMoles_new[0])); - plogf(" -----------------------------------------------------"); - plogendl(); + plogf(" -----------------------------------------------------\n"); } } @@ -1000,10 +972,9 @@ void VCS_SOLVE::solve_tp_inner(size_t& iti, size_t& it1, } plogf(" ---"); writeline(' ', 56, false); - plogf("Norms of Delta G():%14.6E%14.6E", + plogf("Norms of Delta G():%14.6E%14.6E\n", l2normdg(&m_deltaGRxn_old[0]), l2normdg(&m_deltaGRxn_new[0])); - plogendl(); plogf(" --- Phase_Name KMoles(after update)\n"); plogf(" --- "); @@ -1017,14 +988,10 @@ void VCS_SOLVE::solve_tp_inner(size_t& iti, size_t& it1, plogf(" --- Total Old Dimensionless Gibbs Free Energy = %20.13E\n", vcs_Total_Gibbs(&m_molNumSpecies_old[0], &m_feSpecies_old[0], &m_tPhaseMoles_old[0])); - plogf(" --- Total New Dimensionless Gibbs Free Energy = %20.13E", + plogf(" --- Total New Dimensionless Gibbs Free Energy = %20.13E\n", vcs_Total_Gibbs(&m_molNumSpecies_new[0], &m_feSpecies_new[0], &m_tPhaseMoles_new[0])); - plogendl(); - if (m_VCount->Its > 550) { - plogf(" --- Troublesome solve"); - plogendl(); - } + debuglog(" --- Troublesome solve\n", m_VCount->Its > 550); } // RESET VALUES AT END OF ITERATION @@ -1049,9 +1016,8 @@ void VCS_SOLVE::solve_tp_inner(size_t& iti, size_t& it1, ++m_VCount->Its; ++it1; if (m_debug_print_lvl >= 2) { - plogf(" --- Increment counter increased, step is accepted: %4d", + plogf(" --- Increment counter increased, step is accepted: %4d\n", m_VCount->Its); - plogendl(); } // HANDLE DELETION OF MULTISPECIES PHASES @@ -1065,8 +1031,7 @@ void VCS_SOLVE::solve_tp_inner(size_t& iti, size_t& it1, if (!m_VolPhaseList[iph]->m_singleSpecies && m_tPhaseMoles_old[iph] != 0.0 && m_tPhaseMoles_old[iph]/m_totalMolNum <= VCS_DELETE_PHASE_CUTOFF) { if (m_debug_print_lvl >= 1) { - plogf(" --- Setting microscopic phase %d to zero", iph); - plogendl(); + plogf(" --- Setting microscopic phase %d to zero\n", iph); } justDeletedMultiPhase = true; vcs_delete_multiphase(iph); @@ -1098,18 +1063,14 @@ void VCS_SOLVE::solve_tp_inner(size_t& iti, size_t& it1, } vcs_elab(); if (! vcs_elabcheck(0)) { - if (m_debug_print_lvl >= 2) { - plogf(" - failed -> redoing element abundances."); - plogendl(); - } + debuglog(" - failed -> redoing element abundances.\n", m_debug_print_lvl >= 2); vcs_elcorr(&m_sm[0], &m_wx[0]); vcs_setFlagsVolPhases(false, VCS_STATECALC_OLD); vcs_dfe(VCS_STATECALC_OLD, 0, 0, m_numSpeciesRdc); vcs_deltag(0, true, VCS_STATECALC_OLD); uptodate_minors = true; - } else if (m_debug_print_lvl >= 2) { - plogf(" - passed"); - plogendl(); + } else { + debuglog(" - passed\n", m_debug_print_lvl >= 2); } // CHECK FOR OPTIMUM BASIS @@ -1140,23 +1101,17 @@ void VCS_SOLVE::solve_tp_inner(size_t& iti, size_t& it1, } if (doSwap && m_stoichCoeffRxnMatrix(j,i) != 0.0) { if (m_debug_print_lvl >= 2) { - plogf(" --- Get a new basis because "); - plogf("%s", m_speciesName[k]); - plogf(" is better than comp "); - plogf("%s", m_speciesName[j]); - plogf(" and share nonzero stoic: %-9.1f", + plogf(" --- Get a new basis because %s", m_speciesName[k]); + plogf(" is better than comp %s", m_speciesName[j]); + plogf(" and share nonzero stoic: %-9.1f\n", m_stoichCoeffRxnMatrix(j,i)); - plogendl(); } forceComponentCalc = 1; return; } } } - if (m_debug_print_lvl >= 2) { - plogf(" --- Check for an optimum basis passed"); - plogendl(); - } + debuglog(" --- Check for an optimum basis passed\n", m_debug_print_lvl >= 2); stage = EQUILIB_CHECK; // RE-EVALUATE MAJOR-MINOR VECTOR IF NECESSARY @@ -1246,14 +1201,10 @@ void VCS_SOLVE::solve_tp_equilib_check(bool& allMinorZeroedSpecies, return; } } - if (m_debug_print_lvl >= 2) { - plogf(" MAJOR SPECIES CONVERGENCE achieved"); - plogendl(); - } - } else if (m_debug_print_lvl >= 2) { - plogf(" MAJOR SPECIES CONVERGENCE achieved " - "(because there are no major species)"); - plogendl(); + debuglog(" MAJOR SPECIES CONVERGENCE achieved", m_debug_print_lvl >= 2); + } else { + debuglog(" MAJOR SPECIES CONVERGENCE achieved " + "(because there are no major species)\n", m_debug_print_lvl >= 2); } // Convergence amongst major species has been achieved @@ -1388,8 +1339,7 @@ void VCS_SOLVE::solve_tp_elem_abund_check(size_t& iti, int& stage, bool& lec, plogf(" --- vcs_solve_tp: RANGE SPACE ERROR ENCOUNTERED\n"); plogf(" --- vcs_solve_tp: - Giving up on NE Element Abundance satisfaction \n"); plogf(" --- vcs_solve_tp: - However, NC Element Abundance criteria is satisfied \n"); - plogf(" --- vcs_solve_tp: - Returning the calculated equilibrium condition "); - plogendl(); + plogf(" --- vcs_solve_tp: - Returning the calculated equilibrium condition\n"); } rangeErrorFound = 1; giveUpOnElemAbund = true; @@ -1550,9 +1500,8 @@ int VCS_SOLVE::vcs_zero_species(const size_t kspec) retn = delta_species(kspec, &dx); if (!retn && m_debug_print_lvl >= 1) { plogf("vcs_zero_species: Couldn't zero the species %d, " - "did delta of %g. orig conc of %g", + "did delta of %g. orig conc of %g\n", kspec, dx, m_molNumSpecies_old[kspec] + dx); - plogendl(); } } } @@ -1940,12 +1889,10 @@ size_t VCS_SOLVE::vcs_add_all_deleted() } if (m_debug_print_lvl >= 2) { if (retn != 0) { - plogf(" --- add_deleted(): species %s added back in with mol number %g", + plogf(" --- add_deleted(): species %s added back in with mol number %g\n", m_speciesName[kspec], dx); - plogendl(); } else { - plogf(" --- add_deleted(): species %s failed to be added back in"); - plogendl(); + plogf(" --- add_deleted(): species %s failed to be added back in\n"); } } } @@ -1964,10 +1911,9 @@ size_t VCS_SOLVE::vcs_add_all_deleted() (m_molNumSpecies_old[kspec] > VCS_DELETE_MINORSPECIES_CUTOFF)) { retn++; if (m_debug_print_lvl >= 2) { - plogf(" --- add_deleted(): species %s with mol number %g not converged: DG = %g", + plogf(" --- add_deleted(): species %s with mol number %g not converged: DG = %g\n", m_speciesName[kspec], m_molNumSpecies_old[kspec], m_deltaGRxn_old[irxn]); - plogendl(); } } } @@ -2007,20 +1953,16 @@ bool VCS_SOLVE::vcs_globStepDamp() if (m_debug_print_lvl >= 2) { plogf(" --- subroutine FORCE produced no adjustments,"); if (s1 < 1.0E-40) { - plogf(" s1 positive but really small"); + plogf(" s1 positive but really small\n"); } else { - plogf(" failed s1 test"); + plogf(" failed s1 test\n"); } - plogendl(); } return false; } if (s2 <= 0.0) { - if (m_debug_print_lvl >= 2) { - plogf(" --- subroutine FORCE produced no adjustments, s2 < 0"); - plogendl(); - } + debuglog(" --- subroutine FORCE produced no adjustments, s2 < 0\n", m_debug_print_lvl >= 2); return false; } @@ -2079,8 +2021,7 @@ bool VCS_SOLVE::vcs_globStepDamp() } if (m_debug_print_lvl >= 2) { - plogf(" --- subroutine FORCE: Adj End Slope = %g", s2); - plogendl(); + plogf(" --- subroutine FORCE: Adj End Slope = %g\n", s2); } return true; } @@ -2125,7 +2066,7 @@ int VCS_SOLVE::vcs_basopt(const bool doJustComponents, double aw[], double sa[], } plogf("\n"); } - plogendl(); + writelogendl(); } } @@ -2814,7 +2755,7 @@ void VCS_SOLVE::vcs_dfe(const int stateCalc, if (stateCalc == VCS_STATECALC_NEW) { plogf(" using tentative solution"); } - plogendl(); + writelogendl(); } double* tlogMoles = &m_TmpPhase[0]; @@ -3088,8 +3029,7 @@ bool VCS_SOLVE::vcs_evaluate_speciesType() if (m_debug_print_lvl >= 2) { plogf(" --- Species Status decision is reevaluated: All species are minor except for:\n"); } else if (m_debug_print_lvl >= 5) { - plogf(" --- Species Status decision is reevaluated"); - plogendl(); + plogf(" --- Species Status decision is reevaluated\n"); } for (size_t kspec = 0; kspec < m_numSpeciesTot; ++kspec) { m_speciesStatus[kspec] = vcs_species_type(kspec); @@ -3145,10 +3085,7 @@ bool VCS_SOLVE::vcs_evaluate_speciesType() ++m_numRxnMinorZeroed; } } - if (m_debug_print_lvl >= 2) { - plogf(" ---"); - plogendl(); - } + debuglog(" ---\n", m_debug_print_lvl >= 2); return (m_numRxnMinorZeroed >= m_numRxnRdc); }