Cantera 2.6.0
ct.h
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1/**
2 * @file ct.h
3 */
4
5// This file is part of Cantera. See License.txt in the top-level directory or
6// at https://cantera.org/license.txt for license and copyright information.
7
8#ifndef CTC_CT_H
9#define CTC_CT_H
10
11#include "clib_defs.h"
12
13#ifdef __cplusplus
14extern "C" {
15#endif
16
17 CANTERA_CAPI int ct_appdelete();
18
19 CANTERA_CAPI int thermo_newFromFile(const char* filename, const char* phasename);
20 CANTERA_CAPI int thermo_newFromXML(int mxml);
21 CANTERA_CAPI int thermo_del(int n);
22 CANTERA_CAPI size_t thermo_nElements(int n);
23 CANTERA_CAPI size_t thermo_nSpecies(int n);
24 CANTERA_CAPI double thermo_temperature(int n);
25 CANTERA_CAPI int thermo_setTemperature(int n, double t);
26 CANTERA_CAPI double thermo_density(int n);
27 CANTERA_CAPI int thermo_setDensity(int n, double rho);
28 CANTERA_CAPI double thermo_molarDensity(int n);
29 CANTERA_CAPI int thermo_setMolarDensity(int n, double ndens);
30 CANTERA_CAPI double thermo_meanMolecularWeight(int n);
31 CANTERA_CAPI double thermo_moleFraction(int n, size_t k);
32 CANTERA_CAPI double thermo_massFraction(int n, size_t k);
33 CANTERA_CAPI int thermo_getMoleFractions(int n, size_t lenx, double* x);
34 CANTERA_CAPI int thermo_getMassFractions(int n, size_t leny, double* y);
35 CANTERA_CAPI int thermo_setMoleFractions(int n, size_t lenx,
36 double* x, int norm);
37 CANTERA_CAPI int thermo_setMassFractions(int n, size_t leny,
38 double* y, int norm);
39 CANTERA_CAPI int thermo_setMoleFractionsByName(int n, const char* x);
40 CANTERA_CAPI int thermo_setMassFractionsByName(int n, const char* y);
41 CANTERA_CAPI int thermo_getAtomicWeights(int n, size_t lenm, double* atw);
42 CANTERA_CAPI int thermo_getMolecularWeights(int n, size_t lenm, double* mw);
43 CANTERA_CAPI int thermo_getCharges(int n, size_t lenm, double* sc);
44 CANTERA_CAPI int thermo_getElementName(int n, size_t k, size_t lennm, char* nm);
45 CANTERA_CAPI int thermo_getSpeciesName(int n, size_t m, size_t lennm, char* nm);
46 CANTERA_CAPI int thermo_getName(int n, size_t lennm, char* nm);
47 CANTERA_CAPI int thermo_setName(int n, const char* nm);
48 CANTERA_CAPI size_t thermo_elementIndex(int n, const char* nm);
49 CANTERA_CAPI size_t thermo_speciesIndex(int n, const char* nm);
50 CANTERA_CAPI int thermo_report(int nth,
51 int ibuf, char* buf, int show_thermo);
52 CANTERA_CAPI int thermo_print(int nth, int show_thermo, double threshold);
53 CANTERA_CAPI double thermo_nAtoms(int n, size_t k, size_t m);
54 CANTERA_CAPI int thermo_addElement(int n, const char* name, double weight);
55 CANTERA_CAPI int thermo_getEosType(int n, size_t leneos, char* eos);
56 CANTERA_CAPI double thermo_refPressure(int n);
57 CANTERA_CAPI double thermo_minTemp(int n, int k);
58 CANTERA_CAPI double thermo_maxTemp(int n, int k);
59 CANTERA_CAPI double thermo_enthalpy_mole(int n);
60 CANTERA_CAPI double thermo_intEnergy_mole(int n);
61 CANTERA_CAPI double thermo_entropy_mole(int n);
62 CANTERA_CAPI double thermo_gibbs_mole(int n);
63 CANTERA_CAPI double thermo_cp_mole(int n);
64 CANTERA_CAPI double thermo_cv_mole(int n);
65 CANTERA_CAPI double thermo_pressure(int n);
66 CANTERA_CAPI int thermo_setPressure(int n, double p);
67 CANTERA_CAPI double thermo_enthalpy_mass(int n);
68 CANTERA_CAPI double thermo_intEnergy_mass(int n);
69 CANTERA_CAPI double thermo_entropy_mass(int n);
70 CANTERA_CAPI double thermo_gibbs_mass(int n);
71 CANTERA_CAPI double thermo_cp_mass(int n);
72 CANTERA_CAPI double thermo_cv_mass(int n);
73 CANTERA_CAPI double thermo_electricPotential(int n);
74 CANTERA_CAPI double thermo_thermalExpansionCoeff(int n);
75 CANTERA_CAPI double thermo_isothermalCompressibility(int n);
76 CANTERA_CAPI int thermo_chemPotentials(int n, size_t lenm, double* murt);
77 CANTERA_CAPI int thermo_getEnthalpies_RT(int n, size_t lenm, double* h_rt);
78 CANTERA_CAPI int thermo_getEntropies_R(int n, size_t lenm, double* s_r);
79 CANTERA_CAPI int thermo_getCp_R(int n, size_t lenm, double* cp_r);
80 CANTERA_CAPI int thermo_setElectricPotential(int n, double v);
81 CANTERA_CAPI int thermo_set_RP(int n, double* vals);
82 CANTERA_CAPI int thermo_set_HP(int n, double* vals);
83 CANTERA_CAPI int thermo_set_UV(int n, double* vals);
84 CANTERA_CAPI int thermo_set_SV(int n, double* vals);
85 CANTERA_CAPI int thermo_set_SP(int n, double* vals);
86 CANTERA_CAPI int thermo_set_ST(int n, double* vals);
87 CANTERA_CAPI int thermo_set_TV(int n, double* vals);
88 CANTERA_CAPI int thermo_set_PV(int n, double* vals);
89 CANTERA_CAPI int thermo_set_UP(int n, double* vals);
90 CANTERA_CAPI int thermo_set_VH(int n, double* vals);
91 CANTERA_CAPI int thermo_set_TH(int n, double* vals);
92 CANTERA_CAPI int thermo_set_SH(int n, double* vals);
93 CANTERA_CAPI int thermo_equilibrate(int n, const char* XY, int solver,
94 double rtol, int maxsteps, int maxiter,
95 int loglevel);
96
97 CANTERA_CAPI double thermo_critTemperature(int n);
98 CANTERA_CAPI double thermo_critPressure(int n);
99 CANTERA_CAPI double thermo_critDensity(int n);
100 CANTERA_CAPI double thermo_vaporFraction(int n);
101 CANTERA_CAPI double thermo_satTemperature(int n, double p);
102 CANTERA_CAPI double thermo_satPressure(int n, double t);
103 CANTERA_CAPI int thermo_setState_Psat(int n, double p, double x);
104 CANTERA_CAPI int thermo_setState_Tsat(int n, double t, double x);
105
106 CANTERA_CAPI int kin_newFromFile(const char* filename, const char* phasename,
107 int reactingPhase, int neighbor1, int neighbor2,
108 int neighbor3, int neighbor4);
109 CANTERA_CAPI int kin_newFromXML(int mxml, int iphase,
110 int neighbor1, int neighbor2, int neighbor3,
111 int neighbor4);
112 CANTERA_CAPI int kin_del(int n);
113 CANTERA_CAPI size_t kin_nSpecies(int n);
114 CANTERA_CAPI size_t kin_nReactions(int n);
115 CANTERA_CAPI size_t kin_nPhases(int n);
116 CANTERA_CAPI size_t kin_phaseIndex(int n, const char* ph);
117 CANTERA_CAPI size_t kin_reactionPhaseIndex(int n);
118 CANTERA_CAPI double kin_reactantStoichCoeff(int n, int i, int k);
119 CANTERA_CAPI double kin_productStoichCoeff(int n, int i, int k);
120 CANTERA_CAPI int kin_reactionType(int n, int i);
121 CANTERA_CAPI int kin_getFwdRatesOfProgress(int n, size_t len, double* fwdROP);
122 CANTERA_CAPI int kin_getRevRatesOfProgress(int n, size_t len, double* revROP);
123 CANTERA_CAPI int kin_getNetRatesOfProgress(int n, size_t len, double* netROP);
124 CANTERA_CAPI int kin_getEquilibriumConstants(int n, size_t len, double* kc);
125
126 CANTERA_CAPI int kin_getFwdRateConstants(int n, size_t len, double* kfwd);
127 CANTERA_CAPI int kin_getRevRateConstants(int n, int doIrreversible, size_t len, double* krev);
128 CANTERA_CAPI int kin_getDelta(int n, int job, size_t len, double* delta);
129 CANTERA_CAPI int kin_getCreationRates(int n, size_t len, double* cdot);
130 CANTERA_CAPI int kin_getDestructionRates(int n, size_t len, double* ddot);
131 CANTERA_CAPI int kin_getNetProductionRates(int n, size_t len, double* wdot);
132 CANTERA_CAPI int kin_getSourceTerms(int n, size_t len, double* ydot);
133 CANTERA_CAPI double kin_multiplier(int n, int i);
134 CANTERA_CAPI int kin_getReactionString(int n, int i, int len, char* buf);
135 CANTERA_CAPI int kin_setMultiplier(int n, int i, double v);
136
137 CANTERA_CAPI int kin_isReversible(int n, int i);
138 CANTERA_CAPI int kin_getType(int n, size_t len, char* name);
139 CANTERA_CAPI size_t kin_start(int n, int p);
140 CANTERA_CAPI size_t kin_speciesIndex(int n, const char* nm, const char* ph);
141 CANTERA_CAPI int kin_advanceCoverages(int n, double tstep);
142 CANTERA_CAPI size_t kin_phase(int n, size_t i);
143
144 CANTERA_CAPI int trans_newDefault(int th, int loglevel);
145 CANTERA_CAPI int trans_new(const char* model, int th, int loglevel);
146 CANTERA_CAPI int trans_del(int n);
147 CANTERA_CAPI double trans_viscosity(int n);
148 CANTERA_CAPI double trans_electricalConductivity(int n);
149 CANTERA_CAPI double trans_thermalConductivity(int n);
150 CANTERA_CAPI int trans_getThermalDiffCoeffs(int n, int ldt, double* dt);
151 CANTERA_CAPI int trans_getMixDiffCoeffs(int n, int ld, double* d);
152 CANTERA_CAPI int trans_getBinDiffCoeffs(int n, int ld, double* d);
153 CANTERA_CAPI int trans_getMultiDiffCoeffs(int n, int ld, double* d);
154 CANTERA_CAPI int trans_setParameters(int n, int type, int k, double* d);
155 CANTERA_CAPI int trans_getMolarFluxes(int n, const double* state1,
156 const double* state2, double delta, double* fluxes);
157 CANTERA_CAPI int trans_getMassFluxes(int n, const double* state1,
158 const double* state2, double delta, double* fluxes);
159
160 CANTERA_CAPI int ct_getCanteraError(int buflen, char* buf);
161 CANTERA_CAPI int ct_setLogWriter(void* logger);
162 CANTERA_CAPI int ct_addCanteraDirectory(size_t buflen, const char* buf);
163 CANTERA_CAPI int ct_getDataDirectories(int buflen, char* buf, const char* sep);
164 CANTERA_CAPI int ct_getCanteraVersion(int buflen, char* buf);
165 CANTERA_CAPI int ct_getGitCommit(int buflen, char* buf);
166 CANTERA_CAPI int ct_suppress_thermo_warnings(int suppress);
167 CANTERA_CAPI int ct_use_legacy_rate_constants(int legacy);
168 CANTERA_CAPI int ct_clearStorage();
169
170 CANTERA_CAPI int ct_ck2cti(const char* in_file, const char* db_file,
171 const char* tr_file, const char* id_tag,
172 int debug, int validate);
173
174#ifdef __cplusplus
175}
176#endif
177
178#endif
clib_defs.h
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