From 319263100e09fad2f83da4713cd40f364b3762c2 Mon Sep 17 00:00:00 2001 From: Dave Goodwin Date: Sun, 8 Feb 2004 13:09:02 +0000 Subject: [PATCH] *** empty log message *** --- Cantera/clib/src/ct.cpp | 92 +++++++--- Cantera/clib/src/ct.h | 5 + Cantera/matlab/Makefile.in | 2 +- Cantera/matlab/setup_winmatlab.py | 25 +-- Cantera/python/Cantera/Kinetics.py | 34 +--- Cantera/python/Cantera/ctml_writer.py | 116 ++++-------- Cantera/python/src/ctkinetics_methods.cpp | 9 + Cantera/python/src/ctthermo_methods.cpp | 1 + Cantera/src/InterfaceKinetics.cpp | 4 +- Cantera/src/InterfaceKinetics.h | 1 + Cantera/src/Kinetics.h | 10 + Cantera/src/SurfPhase.cpp | 14 ++ Cantera/src/SurfPhase.h | 3 + configure | 4 +- test_problems/cxx_ex/gri30.xml | 212 +++++++++++----------- 15 files changed, 275 insertions(+), 257 deletions(-) diff --git a/Cantera/clib/src/ct.cpp b/Cantera/clib/src/ct.cpp index f7e46e500..f181d3a45 100755 --- a/Cantera/clib/src/ct.cpp +++ b/Cantera/clib/src/ct.cpp @@ -463,36 +463,45 @@ extern "C" { int DLL_EXPORT th_getEnthalpies_RT(int n, int lenm, double* h_rt) { - thermo_t* thrm = th(n); - int nsp = thrm->nSpecies(); - if (lenm >= nsp) { - thrm->getEnthalpy_RT(h_rt); - return 0; + try { + thermo_t* thrm = th(n); + int nsp = thrm->nSpecies(); + if (lenm >= nsp) { + thrm->getEnthalpy_RT(h_rt); + return 0; + } + else + return -10; } - else - return -10; + catch (CanteraError) {return -1;} } int DLL_EXPORT th_getEntropies_R(int n, int lenm, double* s_r) { - thermo_t* thrm = th(n); - int nsp = thrm->nSpecies(); - if (lenm >= nsp) { - thrm->getEntropy_R(s_r); - return 0; + try { + thermo_t* thrm = th(n); + int nsp = thrm->nSpecies(); + if (lenm >= nsp) { + thrm->getEntropy_R(s_r); + return 0; + } + else + return -10; } - else - return -10; + catch (CanteraError) {return -1;} } int DLL_EXPORT th_getCp_R(int n, int lenm, double* cp_r) { - thermo_t* thrm = th(n); - int nsp = thrm->nSpecies(); - if (lenm >= nsp) { - thrm->getCp_R(cp_r); - return 0; + try { + thermo_t* thrm = th(n); + int nsp = thrm->nSpecies(); + if (lenm >= nsp) { + thrm->getCp_R(cp_r); + return 0; + } + else + return -10; } - else - return -10; + catch (CanteraError) {return -1;} } int DLL_EXPORT th_setElectricPotential(int n, double v) { @@ -656,6 +665,47 @@ extern "C" { catch (CanteraError) {return -1;} } + int DLL_EXPORT kin_getFwdRateConstants(int n, int len, double* kfwd) { + try { + Kinetics* k = kin(n); + if (len >= k->nReactions()) { + k->getFwdRateConstants(kfwd); + return 0; + } + else + return ERR; + } + catch (CanteraError) {return -1;} + } + + int DLL_EXPORT kin_getRevRateConstants(int n, int len, double* krev) { + try { + Kinetics* k = kin(n); + if (len >= k->nReactions()) { + k->getRevRateConstants(krev); + return 0; + } + else + return ERR; + } + catch (CanteraError) {return -1;} + } + + + int DLL_EXPORT kin_getActivationEnergies(int n, int len, double* E) { + try { + Kinetics* k = kin(n); + if (len >= k->nReactions()) { + k->getActivationEnergies(E); + return 0; + } + else + return ERR; + } + catch (CanteraError) {return -1;} + } + + int DLL_EXPORT kin_getCreationRates(int n, int len, double* cdot) { try { Kinetics* k = kin(n); diff --git a/Cantera/clib/src/ct.h b/Cantera/clib/src/ct.h index b9fcc2f17..3c49faeb7 100755 --- a/Cantera/clib/src/ct.h +++ b/Cantera/clib/src/ct.h @@ -101,6 +101,11 @@ extern "C" { int DLL_IMPORT kin_getRevRatesOfProgress(int n, int len, double* revROP); int DLL_IMPORT kin_getNetRatesOfProgress(int n, int len, double* netROP); int DLL_IMPORT kin_getEquilibriumConstants(int n, int len, double* kc); + + int DLL_IMPORT kin_getFwdRateConstants(int n, int len, double* kfwd); + int DLL_IMPORT kin_getRevRateConstants(int n, int len, double* krev); + int DLL_IMPORT kin_getActivationEnergies(int n, int len, double* E); + int DLL_IMPORT kin_getCreationRates(int n, int len, double* cdot); int DLL_IMPORT kin_getDestructionRates(int n, int len, double* ddot); int DLL_IMPORT kin_getNetProductionRates(int n, int len, double* wdot); diff --git a/Cantera/matlab/Makefile.in b/Cantera/matlab/Makefile.in index cbdfd4203..d6ec492cd 100644 --- a/Cantera/matlab/Makefile.in +++ b/Cantera/matlab/Makefile.in @@ -44,7 +44,7 @@ ifeq ($(os_is_win),0) else @PYTHON_CMD@ setup_winmatlab.py endif - (@MATLAB_CMD@ -nodesktop -nojvm -nosplash -r setup) + (@MATLAB_CMD@ -nojvm -nosplash -r setup) rm -f setup.m diff --git a/Cantera/matlab/setup_winmatlab.py b/Cantera/matlab/setup_winmatlab.py index e83489847..8bba1d530 100644 --- a/Cantera/matlab/setup_winmatlab.py +++ b/Cantera/matlab/setup_winmatlab.py @@ -1,35 +1,26 @@ import sys -bindir = 'c:/cantera/bin' -libdir = 'd:/dgg/dv/sf/cantera/build/lib/i686-pc-win32' -incdir = 'd:/dgg/dv/sf/cantera/build/include' -dflibdir = 'D:\Program Files\Microsoft Visual Studio\DF98\LIB' - -libs = ['clib', 'oneD', 'zeroD', 'transport', 'cantera', 'recipes', - 'cvode', 'ctlapack', 'ctmath', 'ctblas', 'tpx'] +bindir = '/usr/local/bin' +libdir = '/Users/dgg/dv/sf/cantera/build/lib/powerpc-apple-darwin7.2.0' +incdir = '/Users/dgg/dv/sf/cantera/build/include' +libs = '-lclib -loneD -lzeroD -ltransport -lcantera -lrecipes -lcvode -lctlapack -lctmath -lctblas -ltpx -lg2c -lgcc' f = open('setup.m','w') -f.write('cd cantera\nbuild_cantera\nexit\n') +f.write('cd cantera\nbuildux\nexit\n') f.close() -fb = open('cantera/build_cantera.m','w') +fb = open('cantera/buildux.m','w') fb.write(""" disp('building Cantera..'); -mex -I"""+incdir+""" private/ctmethods.cpp private/ctfunctions.cpp ... +mex private/ctmethods.cpp private/ctfunctions.cpp ... private/xmlmethods.cpp private/phasemethods.cpp ... private/thermomethods.cpp private/kineticsmethods.cpp ... private/transportmethods.cpp private/reactormethods.cpp ... private/wallmethods.cpp private/flowdevicemethods.cpp ... private/onedimmethods.cpp private/surfmethods.cpp private/write.cpp ... +"""+'-I'+incdir+' -L'+libdir+' '+libs+'\n'+"""disp('done.'); """) -s = '' -for lib in libs: - s += ' '+libdir+'/'+lib+'.lib ...\n' -fb.write(s) -fb.write(' "'+dflibdir+'/dformd.lib" ...\n') -fb.write(' "'+dflibdir+'/dfconsol.lib" ...\n') -fb.write(' "'+dflibdir+'/dfport.lib" \n') fb.close() fp = open('cantera/ctbin.m','w') diff --git a/Cantera/python/Cantera/Kinetics.py b/Cantera/python/Cantera/Kinetics.py index 4262b8a3f..3f67eddda 100755 --- a/Cantera/python/Cantera/Kinetics.py +++ b/Cantera/python/Cantera/Kinetics.py @@ -9,31 +9,6 @@ import Numeric import _cantera -## def buildKineticsPhases(root=None, id=None): -## """Return a list of ThermoPhase objects representing the phases -## involved in a reaction mechanism. - -## root -- XML node contaning a 'kinetics' child -## id -- id attribute of the desired 'kinetics' node -## """ -## kin = root.child(id = id) -## phase_refs = kin.children("phaseRef") -## th = None -## phases = [] -## for p in phase_refs: -## phase_id = p["id"] -## try: -## th = ThermoPhase(root=root, id=phase_id) -## except: -## if p["src"]: -## pnode = XML_Node(name="root",src=src) -## th = ThermoPhase(pnode, phase_id) -## else: -## raise CanteraError("phase "+phase_id+" not found.") -## phases.append(th) -## return phases - - class Kinetics: """ Kinetics managers. Instances of class Kinetics are responsible for @@ -217,6 +192,15 @@ class Kinetics: def equilibriumConstants(self): return _cantera.kin_getarray(self.ckin,40) + def activationEnergies(self): + return _cantera.kin_getarray(self.ckin,32) + + def fwdRateConstants(self): + return _cantera.kin_getarray(self.ckin,34) + + def revRateConstants(self): + return _cantera.kin_getarray(self.ckin,36) + def creationRates(self, phase = None): c = _cantera.kin_getarray(self.ckin,50) if phase: diff --git a/Cantera/python/Cantera/ctml_writer.py b/Cantera/python/Cantera/ctml_writer.py index 170e46a13..5d1584224 100644 --- a/Cantera/python/Cantera/ctml_writer.py +++ b/Cantera/python/Cantera/ctml_writer.py @@ -48,7 +48,7 @@ _speciesnames = [] _phases = [] _reactions = [] _atw = {} -#_mw = {} + _valsp = '' _valrxn = '' @@ -405,7 +405,8 @@ class Arrhenius(writer): self._cov = None - def build(self, p, units_factor = 1.0, gas_species = [], name = ''): + def build(self, p, units_factor = 1.0, + gas_species = [], name = '', rxn_phase = None): a = p.addChild('Arrhenius') if name: a['name'] = name @@ -422,12 +423,16 @@ reactant, but this reaction has """+`ngas`+': '+`gas_species`) else: a['species'] = gas_species[0] units_factor = 1.0 + # if a pure number is entered for A, multiply by the conversion # factor to SI and write it to CTML as a pure number. Otherwise, # pass it as-is through to CTML with the unit string. if isnum(self._c[0]): addFloat(a,'A',self._c[0]*units_factor, fmt = '%14.6E') + elif len(self._c[0]) == 2 and self._c[0][1] == '/site': + addFloat(a,'A',self._c[0]/rxn_phase._sitedens, + fmt = '%14.6E') else: addFloat(a,'A',self._c[0], fmt = '%14.6E') @@ -501,6 +506,8 @@ class reaction(writer): self._kf = kf self._igspecies = [] + self._dims = [0]*4 + self._rxnphase = None self._type = '' _reactions.append(self) @@ -524,18 +531,25 @@ class reaction(writer): ldim = 0 str = '' + rxnph = [] for s in self._r.keys(): ns = self._rxnorder[s] nm = -999 nl = -999 str += s+':'+`self._r[s]`+' ' - + mindim = 4 for ph in _phases: if ph.has_species(s): nm, nl = ph.conc_dim() if ph.is_ideal_gas(): self._igspecies.append(s) + if not ph in rxnph: + rxnph.append(ph) + self._dims[ph._dim] += 1 + if ph._dim < mindim: + self._rxnphase = ph + mindim = ph._dim break if nm == -999: raise CanteraError("species "+s+" not found") @@ -574,9 +588,17 @@ class reaction(writer): if self._type == 'surface': mdim += -1 ldim += 2 + p = self._dims[:3] + if p[0] <> 0 or p[1] <> 0 or p[2] > 1: + raise CanteraError(self._e +'\nA surface reaction may contain at most '+ + 'one surface phase.') elif self._type == 'edge': mdim += -1 ldim += 1 + p = self._dims[:2] + if p[0] <> 0 or p[1] > 1: + raise CanteraError(self._e+'\nAn edge reaction may contain at most '+ + 'one edge phase.') else: mdim += -1 ldim += 3 @@ -607,11 +629,6 @@ class reaction(writer): unit_fctr = (math.pow(_length[_ulen], -ldim) * math.pow(_moles[_umol], -mdim) / _time[_utime]) - # compute the pre-exponential units string, and if it begins with a - # dash, remove it. - #ku = ufmt(_ulen,-ldim) + ufmt(_umol,-mdim) + ufmt('s',-1) - #if ku[0] == '-': ku = ku[1:] - if type(kf) == types.InstanceType: k = kf else: @@ -875,7 +892,7 @@ class phase(writer): def is_pure(self): return 0 - + def has_species(self, s): """Return 1 is a species with name 's' belongs to the phase, or 0 otherwise.""" @@ -1178,7 +1195,7 @@ class edge(phase): options = []): self._type = 'edge' - phase.__init__(self, name, 2, elements, species, reactions, + phase.__init__(self, name, 1, elements, species, reactions, initial_state, options) self._pure = 0 self._kin = kinetics @@ -1190,7 +1207,7 @@ class edge(phase): ph = phase.build(self, p) e = ph.addChild("thermo") e['model'] = 'Edge' - addFloat(e, 'site_density', self._sitedens, defunits = _umol+'/'+_ulen+'2') + addFloat(e, 'site_density', self._sitedens, defunits = _umol+'/'+_ulen) k = ph.addChild("kinetics") k['model'] = self._kin t = ph.addChild('transport') @@ -1202,78 +1219,6 @@ class edge(phase): return (1, -1) -#------------------ equations of state -------------------------- - -## class eos(writer): -## def is_pure(self): -## return self._pure - -## class incompressible_eos(eos): -## def __init__(self, density = -1.0): -## self._dens = density -## self._pure = 0 -## if self._dens < 0.0: -## raise 'density must be specified.' - -## def build(self, p): -## e = p.addChild("thermo") -## e['model'] = 'Incompressible' -## addFloat(e, 'density', self._dens) - -## def conc_dim(self): -## return (1, -3) - -## class solid_compound_eos(eos): -## def __init__(self, density = -1.0): -## self._dens = density -## self._pure = 1 -## if self._dens < 0.0: -## raise 'density must be specified.' - -## def build(self, p): -## e = p.addChild("thermo") -## e['model'] = 'SolidCompound' -## addFloat(e, 'density', self._dens) -## if len(self.parent._spmap) > 1: -## raise 'A solid compound can only have one species.' - -## def conc_dim(self): -## return (0, 0) - - -## class ideal_gas_eos(eos): -## def __init__(self, kinetics = 'GasKinetics', -## transport = 'none'): -## self._pure = 0 -## self._kin = kinetics -## self._tr = transport -## global _idealgas_class -## _idealgas_class = self.__class__ - -## def build(self, p): -## e = p.addChild("thermo") -## e['model'] = 'IdealGas' -## k = p.addChild("kinetics") -## k['model'] = self._kin -## t = p.addChild('transport') -## t['model'] = self._tr - -## def conc_dim(self): -## return (1, -3) - - -## class surface(eos): -## def __init__(self, site_density = 0.0): -## self._pure = 0 -## self._s0 = site_density -## def build(self, p): -## e = p.addChild("thermo") -## e['model'] = 'Surface' -## addFloat(e, 'site_density', self._s0, '%14.6E') - -## def conc_dim(self): -## return (1, -2) - #------------------------------------------------------------------- # falloff parameterizations @@ -1364,7 +1309,10 @@ validate() # $Revision$ # $Date$ # $Log$ -# Revision 1.27 2004-02-03 16:42:54 dggoodwin +# Revision 1.28 2004-02-08 13:09:10 dggoodwin +# *** empty log message *** +# +# Revision 1.27 2004/02/03 16:42:54 dggoodwin # *** empty log message *** # # Revision 1.26 2004/02/03 03:31:06 dggoodwin diff --git a/Cantera/python/src/ctkinetics_methods.cpp b/Cantera/python/src/ctkinetics_methods.cpp index 68bbfb789..77186cc61 100644 --- a/Cantera/python/src/ctkinetics_methods.cpp +++ b/Cantera/python/src/ctkinetics_methods.cpp @@ -151,6 +151,15 @@ kin_getarray(PyObject *self, PyObject *args) case 30: iok = kin_getNetRatesOfProgress(kin, nrxns, xd); break; + case 32: + iok = kin_getActivationEnergies(kin, nrxns, xd); + break; + case 34: + iok = kin_getFwdRateConstants(kin, nrxns, xd); + break; + case 36: + iok = kin_getRevRateConstants(kin, nrxns, xd); + break; case 40: iok = kin_getEquilibriumConstants(kin, nrxns, xd); break; diff --git a/Cantera/python/src/ctthermo_methods.cpp b/Cantera/python/src/ctthermo_methods.cpp index 1d89299fc..31b9888ba 100644 --- a/Cantera/python/src/ctthermo_methods.cpp +++ b/Cantera/python/src/ctthermo_methods.cpp @@ -212,6 +212,7 @@ thermo_getarray(PyObject *self, PyObject *args) if (iok >= 0) { return PyArray_Return(x); } + else if (iok == -1) return reportCanteraError(); else { PyErr_SetString(ErrorObject,"Unknown array attribute"); return NULL; diff --git a/Cantera/src/InterfaceKinetics.cpp b/Cantera/src/InterfaceKinetics.cpp index 01e440d11..4e8925bfb 100644 --- a/Cantera/src/InterfaceKinetics.cpp +++ b/Cantera/src/InterfaceKinetics.cpp @@ -319,7 +319,9 @@ namespace Cantera { multiply_each(krev, krev + nReactions(), rkc.begin()); } - + void InterfaceKinetics::getActivationEnergies(doublereal *E) { + copy(m_E.begin(), m_E.end(), E); + } /** * Update the rates of progress of the reactions in the reaciton diff --git a/Cantera/src/InterfaceKinetics.h b/Cantera/src/InterfaceKinetics.h index 4b4a974d4..5f310b5ad 100644 --- a/Cantera/src/InterfaceKinetics.h +++ b/Cantera/src/InterfaceKinetics.h @@ -261,6 +261,7 @@ namespace Cantera { virtual void getFwdRateConstants(doublereal* kfwd); virtual void getRevRateConstants(doublereal* krev); + virtual void getActivationEnergies(doublereal *E); //@} /** diff --git a/Cantera/src/Kinetics.h b/Cantera/src/Kinetics.h index 5696cb769..638ec4f0a 100755 --- a/Cantera/src/Kinetics.h +++ b/Cantera/src/Kinetics.h @@ -521,6 +521,16 @@ namespace Cantera { } + /** + * Return the activation energies in Kelvin. + * + * length is the number of reactions + */ + virtual void getActivationEnergies(doublereal *E) { + err("getActivationEnergies"); + } + + //@} /** * @name Reaction Mechanism Construction diff --git a/Cantera/src/SurfPhase.cpp b/Cantera/src/SurfPhase.cpp index 4d897f6e7..c2a7f0666 100644 --- a/Cantera/src/SurfPhase.cpp +++ b/Cantera/src/SurfPhase.cpp @@ -101,6 +101,20 @@ namespace Cantera { m_logn0 = log(m_n0); } + void SurfPhase:: + getEnthalpy_RT(doublereal* hrt) const { + _updateThermo(); + double rrt = 1.0/(GasConstant*temperature()); + scale(m_h0.begin(), m_h0.end(), hrt, rrt); + } + + void SurfPhase:: + getEntropy_R(doublereal* sr) const { + _updateThermo(); + double rr = 1.0/GasConstant; + scale(m_s0.begin(), m_s0.end(), sr, rr); + } + void SurfPhase:: initThermo() { m_h0.resize(m_kk); diff --git a/Cantera/src/SurfPhase.h b/Cantera/src/SurfPhase.h index a2e9da9f6..54c6ac6e8 100644 --- a/Cantera/src/SurfPhase.h +++ b/Cantera/src/SurfPhase.h @@ -52,6 +52,9 @@ namespace Cantera { void setSiteDensity(doublereal n0); //void setElectricPotential(doublereal V); + void getEnthalpy_RT(doublereal* hrt) const; + void getEntropy_R(doublereal* sr) const; + /** * Pressure. Units: Pa. */ diff --git a/configure b/configure index 134cc02ca..cea7a2b2b 100755 --- a/configure +++ b/configure @@ -183,7 +183,7 @@ LAPACK_FTN_STRING_LEN_AT_END='y' CXX=${CXX:=g++} # C++ compiler flags -CXXFLAGS=${CXXFLAGS:="-O0 -g -Wall"} +CXXFLAGS=${CXXFLAGS:="-O3 -Wall"} # the C++ flags required for linking #LCXX_FLAGS= @@ -215,7 +215,7 @@ F77=${F77:=g77} F90=${F90:=f90} # Fortran compiler flags -FFLAGS=${FFLAGS:='-O3 -g'} +FFLAGS=${FFLAGS:='-O3'} # the additional Fortran flags required for linking, if any #LFORT_FLAGS="-lF77 -lFI77" diff --git a/test_problems/cxx_ex/gri30.xml b/test_problems/cxx_ex/gri30.xml index 46ae9321c..1f2df2f71 100644 --- a/test_problems/cxx_ex/gri30.xml +++ b/test_problems/cxx_ex/gri30.xml @@ -72,12 +72,12 @@ 2.344331120E+00, 7.980520750E-03, -1.947815100E-05, 2.015720940E-08, - -7.376117610E-12, -9.179351730E+02, 6.830102380E-01, + -7.376117610E-12, -9.179351730E+02, 6.830102380E-01 3.337279200E+00, -4.940247310E-05, 4.994567780E-07, -1.795663940E-10, - 2.002553760E-14, -9.501589220E+02, -3.205023310E+00, + 2.002553760E-14, -9.501589220E+02, -3.205023310E+00 @@ -98,12 +98,12 @@ 2.500000000E+00, 7.053328190E-13, -1.995919640E-15, 2.300816320E-18, - -9.277323320E-22, 2.547365990E+04, -4.466828530E-01, + -9.277323320E-22, 2.547365990E+04, -4.466828530E-01 2.500000010E+00, -2.308429730E-11, 1.615619480E-14, -4.735152350E-18, - 4.981973570E-22, 2.547365990E+04, -4.466829140E-01, + 4.981973570E-22, 2.547365990E+04, -4.466829140E-01 @@ -124,12 +124,12 @@ 3.168267100E+00, -3.279318840E-03, 6.643063960E-06, -6.128066240E-09, - 2.112659710E-12, 2.912225920E+04, 2.051933460E+00, + 2.112659710E-12, 2.912225920E+04, 2.051933460E+00 2.569420780E+00, -8.597411370E-05, 4.194845890E-08, -1.001777990E-11, - 1.228336910E-15, 2.921757910E+04, 4.784338640E+00, + 1.228336910E-15, 2.921757910E+04, 4.784338640E+00 @@ -150,12 +150,12 @@ 3.782456360E+00, -2.996734160E-03, 9.847302010E-06, -9.681295090E-09, - 3.243728370E-12, -1.063943560E+03, 3.657675730E+00, + 3.243728370E-12, -1.063943560E+03, 3.657675730E+00 3.282537840E+00, 1.483087540E-03, -7.579666690E-07, 2.094705550E-10, - -2.167177940E-14, -1.088457720E+03, 5.453231290E+00, + -2.167177940E-14, -1.088457720E+03, 5.453231290E+00 @@ -176,12 +176,12 @@ 3.992015430E+00, -2.401317520E-03, 4.617938410E-06, -3.881133330E-09, - 1.364114700E-12, 3.615080560E+03, -1.039254580E-01, + 1.364114700E-12, 3.615080560E+03, -1.039254580E-01 3.092887670E+00, 5.484297160E-04, 1.265052280E-07, -8.794615560E-11, - 1.174123760E-14, 3.858657000E+03, 4.476696100E+00, + 1.174123760E-14, 3.858657000E+03, 4.476696100E+00 @@ -202,12 +202,12 @@ 4.198640560E+00, -2.036434100E-03, 6.520402110E-06, -5.487970620E-09, - 1.771978170E-12, -3.029372670E+04, -8.490322080E-01, + 1.771978170E-12, -3.029372670E+04, -8.490322080E-01 3.033992490E+00, 2.176918040E-03, -1.640725180E-07, -9.704198700E-11, - 1.682009920E-14, -3.000429710E+04, 4.966770100E+00, + 1.682009920E-14, -3.000429710E+04, 4.966770100E+00 @@ -228,12 +228,12 @@ 4.301798010E+00, -4.749120510E-03, 2.115828910E-05, -2.427638940E-08, - 9.292251240E-12, 2.948080400E+02, 3.716662450E+00, + 9.292251240E-12, 2.948080400E+02, 3.716662450E+00 4.017210900E+00, 2.239820130E-03, -6.336581500E-07, 1.142463700E-10, - 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