[Fortran] Add functions for constructing objects based on filenames
Bypass reading and manipulation of XML files in Fortran, so that XML, CTI, and YAML input files can all be used.
This commit is contained in:
Ray Speth
parent
901ec2f12c
commit
9ffab53a17
5 changed files with 137 additions and 10 deletions
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@ -18,25 +18,20 @@ module cantera_funcs
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integer, intent(in), optional :: loglevel
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character(20) :: model
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type(XML_Node) root, s, str
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type(phase_t) self
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root = new_XML_Node(src = src)
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if (present(id)) then
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s = ctxml_child(root, id = id)
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self = ctthermo_newFromFile(src, id)
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else
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s = ctxml_child(root, 'phase')
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self = ctthermo_newFromFile(src)
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end if
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self = newThermoPhase(s)
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call newKinetics(s, self)
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call ctkin_newFromFile(self, src, id)
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str = ctxml_child(s, 'transport')
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call ctxml_getAttrib(str, 'model', model)
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if (present(loglevel)) then
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self%tran_id = newTransport(model, self%thermo_id, loglevel)
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self%tran_id = trans_newdefault(self%thermo_id, loglevel)
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else
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self%tran_id = newTransport(model, self%thermo_id, 0)
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self%tran_id = trans_newdefault(self%thermo_id, 0)
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end if
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ctfunc_importPhase = self
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@ -9,6 +9,49 @@ module cantera_kinetics
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contains
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subroutine ctkin_newFromFile(phase, filename, id, neighbor1, neighbor2, &
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neighbor3, neighbor4)
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implicit none
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type(phase_t), intent(inout) :: phase
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character*(*), intent(in) :: filename
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character*(*), intent(in), optional :: id
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type(phase_t), intent(in), optional :: neighbor1
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type(phase_t), intent(in), optional :: neighbor2
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type(phase_t), intent(in), optional :: neighbor3
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type(phase_t), intent(in), optional :: neighbor4
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integer :: n1, n2, n3, n4
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if (present(neighbor1)) then
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n1 = neighbor1%thermo_id
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else
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n1 = -1
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end if
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if (present(neighbor2)) then
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n2 = neighbor2%thermo_id
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else
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n2 = -1
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end if
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if (present(neighbor3)) then
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n3 = neighbor3%thermo_id
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else
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n3 = -1
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end if
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if (present(neighbor4)) then
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n4 = neighbor4%thermo_id
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else
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n4 = -1
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end if
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if (present(id)) then
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phase%kin_id = kin_newfromfile(filename, id, phase%thermo_id, &
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n1, n2, n3, n4)
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else
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phase%kin_id = kin_newfromfile(filename, '', phase%thermo_id, &
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n1, n2, n3, n4)
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end if
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phase%nrxn = kin_nreactions(phase%kin_id)
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end subroutine ctkin_newFromFile
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subroutine newKinetics(xml_phase, phase, &
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neighbor1, neighbor2, neighbor3, neighbor4)
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implicit none
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@ -35,6 +35,25 @@ module cantera_thermo
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contains
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type(phase_t) function ctthermo_newFromFile(filename, id)
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implicit none
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character*(*), intent(in) :: filename
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character*(*), intent(in), optional :: id
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type(phase_t) :: self
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if (present(id)) then
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self%thermo_id = th_newfromfile(filename, id)
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else
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self%thermo_id = th_newfromfile(filename, '')
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end if
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self%nel = phase_nelements(self%thermo_id)
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self%nsp = phase_nspecies(self%thermo_id)
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self%nrxn = 0
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self%err = 0
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self%kin_id = -1
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self%tran_id = -1
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ctthermo_newFromFile = self
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end function ctthermo_newFromFile
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type(phase_t) function newThermoPhase(xml_phase, index)
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implicit none
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type(XML_Node), intent(inout), optional :: xml_phase
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@ -356,6 +356,17 @@ extern "C" {
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//-------------- Thermo --------------------//
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integer th_newfromfile_(char* filename, char* phasename, ftnlen lenf, ftnlen lenp)
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{
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try {
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thermo_t* th = newPhase(f2string(filename, lenf),
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f2string(phasename, lenp));
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return ThermoCabinet::add(th);
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} catch (...) {
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return handleAllExceptions(-1, ERR);
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}
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}
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integer newthermofromxml_(integer* mxml)
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{
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try {
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@ -626,6 +637,34 @@ extern "C" {
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//-------------- Kinetics ------------------//
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integer kin_newfromfile_(const char* filename, const char* phasename,
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integer* reactingPhase, const integer* neighbor1,
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const integer* neighbor2, const integer* neighbor3,
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const integer* neighbor4, ftnlen nlen, ftnlen plen)
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{
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try {
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std::vector<thermo_t*> phases;
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phases.push_back(_fth(reactingPhase));
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if (*neighbor1 >= 0) {
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phases.push_back(_fth(neighbor1));
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if (*neighbor2 >= 0) {
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phases.push_back(_fth(neighbor2));
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if (*neighbor3 >= 0) {
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phases.push_back(_fth(neighbor3));
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if (*neighbor4 >= 0) {
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phases.push_back(_fth(neighbor4));
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}
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}
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}
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}
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auto kin = newKinetics(phases, f2string(filename, nlen),
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f2string(phasename, plen));
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return KineticsCabinet::add(kin.release());
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} catch (...) {
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return handleAllExceptions(999, ERR);
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}
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}
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integer newkineticsfromxml_(integer* mxml, integer* iphase,
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const integer* neighbor1, const integer* neighbor2, const integer* neighbor3,
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const integer* neighbor4)
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@ -904,6 +943,17 @@ extern "C" {
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}
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}
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integer trans_newdefault_(integer* ith, integer* loglevel, ftnlen lenmodel)
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{
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try {
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thermo_t* t = _fth(ith);
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Transport* tr = newDefaultTransportMgr(t, *loglevel);
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return TransportCabinet::add(tr);
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} catch (...) {
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return handleAllExceptions(-1, ERR);
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}
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}
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doublereal trans_viscosity_(const integer* n)
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{
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try {
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@ -123,6 +123,11 @@ interface
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integer, intent(in) :: m
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end function phase_natoms
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integer function th_newfromfile(filename, id)
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character*(*), intent(in) :: filename
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character*(*), intent(in) :: id
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end function th_newfromfile
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integer function newthermofromxml(mxml)
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integer, intent(in) :: mxml
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end function newthermofromxml
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@ -253,6 +258,16 @@ interface
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double precision, intent(out) :: cp_r(*)
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end function th_getcp_r
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integer function kin_newfromfile(filename, id, reactingPhase, neighbor1, neighbor2, neighbor3, neighbor4)
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character*(*), intent(in) :: filename
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character*(*), intent(in) :: id
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integer, intent(in) :: reactingPhase
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integer, intent(in) :: neighbor1
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integer, intent(in) :: neighbor2
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integer, intent(in) :: neighbor3
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integer, intent(in) :: neighbor4
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end function kin_newfromfile
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integer function newkineticsfromxml(mxml, iphase, neighbor1, neighbor2, neighbor3, neighbor4)
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integer, intent(in) :: mxml
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integer, intent(in) :: iphase
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@ -380,6 +395,11 @@ interface
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integer, intent(in) :: loglevel
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end function newtransport
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integer function trans_newdefault(ith, loglevel)
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integer, intent(in) :: ith
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integer, intent(in) :: loglevel
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end function trans_newdefault
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double precision function trans_viscosity(n)
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integer, intent(in) :: n
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end function trans_viscosity
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