/* This file is part of Cloudy and is copyright (C)1978-2013 by Gary J. Ferland and * others. For conditions of distribution and use see copyright notice in license.txt */ #ifndef ATMDAT_H_ #define ATMDAT_H_ /** atmdat_2phot_shapefunction two photon emission function for all atomic and ionic species \param EbyE2nu \param ipISO \param nelem */ double atmdat_2phot_shapefunction( double EbyE2nu, long ipISO, long nelem ); /** atmdat_readin read in some data files, but only if this is very first call */ void atmdat_readin(void); /** atmdat_STOUT_readin read in data from STOUT database files \param intNS \param chFileName */ void atmdat_STOUT_readin( long intNS, char *chFileName ); /** atmdat_CHIANTI_readin read in data from CHIANTI database files \param intNS \param chFileName */ void atmdat_CHIANTI_readin( long intNS, char *chFileName ); /** atmdat_LAMDA_readin read in data from LAMDA database files \param intNS \param chFileName */ void atmdat_LAMDA_readin( long intNS, char *chFileName ); /** atmdat_outer_shell determine outer shell, and statistical weights of that and higher ion, for any ion written by Dima Verner \param [in] iz atomic number from 1 to 30 \param [in] in number of electrons from 1 to iz \param [out] *imax number of the outer shell \param [out] *ig0 statistical weight of (iz,in) ground state \param [out] *ig1 statistical weight of (iz,in-1) ground state \author Dima Verner */ void atmdat_outer_shell( long int iz, long int in, long int *imax, long int *ig0, long int *ig1); /** atmdat fill in the CharExcIonOf[ipHYDROGEN] and Rec arrays with Kingdon's fitted CT with H, */ void ChargTranEval( void ); /** sum up the charge transfer heating \return */ double ChargTranSumHeat(void); /*ChargTranPun save charge transfer rate coefficients */ /** save charge transfer rate coefficients \param ipPnunit \param chSave */ void ChargTranPun( FILE* ipPnunit , char* chSave ); /** CHIANTI_Upsilon converts Chianti collision splines to collision strengths */ double CHIANTI_Upsilon(long, long, long, long,double); /** atmdat_dielrec_fe Dielectronic recombination rates for Fe from Arnaud & Raymond 1992 \param ion \param t */ double atmdat_dielrec_fe(long int ion, double t); /** this initializes the arrays containing the fitting coefficients, * called by OpacityCreateAll, done once per coreload */ void atmdat_H_phot_cs(void); /**atmdat_3body derive three-body recombination coefficients */ void atmdat_3body(void); /** general utility to read in line emissivities from the Storey & Hummer tables of case B emissivities. \param iHi the principal quantum numbers, . \param iLo upper and lower levels in any order \param iZ charge of ion, only 1 and 2 for now \param TempIn temperature, must lie within the range of the table, which depends on the ion charge, and is 500 - 30,000K for hydrogen \param DenIn the density and must lie within the range of the table \param chCase case - 'a' or 'b' */ double atmdat_HS_caseB( long int iHi, long int iLo, long int iZ, double TempIn, double DenIn, char chCase ); // arrays for Hummer & Storey 98 He1 cross sections and energies extern double ****HS_He1_Xsectn; extern double ****HS_He1_Energy; // arrays for TOPbase Helike cross sections and energies extern double *****OP_Helike_Xsectn; extern double *****OP_Helike_Energy; extern long ****OP_Helike_NumPts; /* these are the vectors that store the original Hummer and Storey case B * line data for H and He - the declaration for the interpolator follows */ #define NHSDIM 15 /**< used for following vectors*/ #define NLINEHS 300 /**< dimension of array with lines*/ #define HS_NZ 8 /**< number of elements that can be read in */ #define NHCSTE 8 /**< number of temperature points in h_coll_str arrays */ #define NUM_HS98_DATA_POINTS 811 struct t_atmdat { /** * ion, nelem * these arrays save the charge transfer ionization and recombination * rates for the heavy elements onto hydrogen. ionization is * of the heavy element, and so is a recombination for hydrogen * * CharExcIonOf[ipHYDROGEN]( ion , nelem ), CharExcRecTo[ipHYDROGEN]( ion , nelem ) * charge transfer ionization of atomic oxygen = CharExcIonOf[ipHYDROGEN][ipOXYGEN][0]*hii * charge transfer recombination of ionized oxygen = CharExcRecTo[ipHYDROGEN][ipOXYGEN][0]*hi * HCharHeatMax, HCharCoolMax are largest fractions of local heating * or cooling due to ct * HCharHeatOn usually 1, set to 0 with no CTHeat command */ enum {NCX=2}; /** CharExcIon is ionization, */ /** [0] is Atom^0 + H+ => Atom+1 + H0 * [n] is Atom^+n + H+ => Atom^+n-1 + H0 */ /** CharExcRec is recombination */ /** [0] is Atom^+1 + H0 => Atom^0 + H^+ * [n] is Atom^+n+1 + H0 => Atom^+n + H^+ */ double CharExcIonOf[NCX][LIMELM][LIMELM+1], //(cm3 s-1) CharExcRecTo[NCX][LIMELM][LIMELM+1], //(cm3 s-1) HCharHeatMax, HCharCoolMax, HCharHeatOn; /* rate coefficient (cm3 s-1) for N+(3P) + H+ -> N(2D) + H+ charge transfer*/ double HCharExcRecTo_N0_2D; /** this is total rate (s-1) for ct ionization and recombination of nelem */ double CharExcIonTotal[NCX], CharExcRecTotal[NCX]; /** this is the current ratio of ct ionization of H, relative to total dest rate*/ double HIonFrac; /** this is the largest ratio of ct ionization of H, relative to total dest rate*/ double HIonFracMax; /** Dalgarno H charge transfer rate coefficient for high stages of ionization * default is 1.92e-9 in zero, reset with 'set charge transfer' command */ double HCTAlex; /** variable to turn on or off ct ionization-recombination of * all elements - set off with no charge transfer command */ bool lgCTOn; /** these are the density and temperature mesh points on the * original Hummer & Storey data, for H[0] and He[1], */ double Density[2][HS_NZ][NHSDIM], ElecTemp[2][HS_NZ][NHSDIM], /**emiss[ipTemp][ipDens][ipLevel]*/ Emiss[2][HS_NZ][NHSDIM][NHSDIM][NLINEHS]; /** saves the number of density temperature mesh points for the two cases for * the HS_NZ elements */ long int nDensity[2][HS_NZ] , ntemp[2][HS_NZ] , ncut[2][HS_NZ]; /** following will be set false if we ever stop over bounds of HS table * for any element. first index is case A [0] or case B [1] - * second is element number */ bool lgHCaseBOK[2][HS_NZ]; /** related to highest stage of ionization needed for Cota recom */ long int nsbig; /** by default, include collisional ionization, option to not include it, * with "no collisional ionization" command */ bool lgCollIonOn; /** wavelengths of Hummer & Storey case B lines for H - O * first dimension is atomic number of C scale, H is 0 * next two are upper and lower configurations on physics * scale - Lya is 2-1, Lyb is 3-1, Ha is 3-2, etc */ realnum WaveLengthCaseB[8][25][24]; /** wavelengths for HeI case b */ vector CaseBWlHeI; /** The maximum number of chianti energy levels used for Fe */ long nChiantiMaxLevelsFe; /** The maximum number of chianti energy levels used for all other species */ long nChiantiMaxLevels; /** Flag to determine whether nChiantiMaxLevelsFe has been set by the user */ bool lgChiantiLevelsSet; /** The maximum number of Stout energy levels*/ long nStoutMaxLevels; /** Default number of iron Chianti levels when not using the coronal command */ const long nChiantiPhotoLevelsFe; /** Default number of non-iron Chianti levels when not using the coronal command */ const long nChiantiPhotoLevels; /** Default number of iron Chianti levels for collisional ionization cases using the coronal command */ const long nChiantiCollLevelsFe; /** Default number of non-iron Chianti levels for collisional ionization cases using the coronal command */ const long nChiantiCollLevels; t_atmdat() : nChiantiPhotoLevelsFe(25), nChiantiPhotoLevels(15), nChiantiCollLevelsFe(100), nChiantiCollLevels(50) {} /** true if CHIANTI database is enabled **/ bool lgChiantiOn; /** true if CHIANTI database supplements opacity project lines */ bool lgChiantiHybrid; /** true if Cloudy will print which Chianti species are being used as well as number of levels */ bool lgChiantiPrint; /** true if Cloudy will use no theoretical energy levels from Chianti, only experimental. False means that only theoretical energy levels are used */ bool lgChiantiExp; /** true if LAMDA database is enabled **/ bool lgLamdaOn; /** true if Stout database is enabled **/ bool lgStoutOn; /** true if Stout database supplements opacity project lines */ bool lgStoutHybrid; /** true if Cloudy will print which Stout species are being used as well as number of levels */ bool lgStoutPrint; /** true if CDMS/JPL database is enabled **/ bool lgCalpgmOn; /** true if dBase transitions have collision strengths supplemented by gbar **/ bool lgGbarOn; /** The default collision strength used for dBaseTrans * no collision or radiative data are available so * conventional g-bar is unavailable **/ double collstrDefault; /* type and enum for determining what collisional ionization rate coefficient data to use. * Dima: Cloudy original data from Voronov97 * Hybrid: Dima version scaled by the ratio of Dere07 to Dima */ typedef enum { DIMA, HYBRID } CollIonRC; CollIonRC CIRCData; /** Length +1 of the version read from /data/chianti/VERSION **/ static const int iVersionLength = 10; /** Chianti version read from /data/chianti/VERSION **/ char chVersion[iVersionLength]; /**Stout filename variable **/ char chStoutFile[FILENAME_PATH_LENGTH]; /**CloudyChianti filename variable **/ char chCloudyChiantiFile[FILENAME_PATH_LENGTH]; }; extern t_atmdat atmdat; typedef enum { PHFIT_UNDEF, PHFIT95, PHFIT96 } phfit_version; class t_ADfA : public Singleton { friend class Singleton; protected: t_ADfA(); private: phfit_version version; /* phfit.dat */ long int L[7]; long int NINN[30]; long int NTOT[30]; realnum PH1[7][30][30][6]; realnum PH2[30][30][7]; /* hpfit.dat */ realnum PHH[NHYDRO_MAX_LEVEL][5]; /* rec_lines.dat */ realnum P[8][110]; realnum ST[9][405]; /* rad_rec.dat */ realnum rrec[30][30][2]; realnum rnew[30][30][4]; realnum fe[13][3]; /* h_rad_rec */ realnum HRF[NHYDRO_MAX_LEVEL][9]; /* h_phot_cs.dat */ /** array of cross sections for photoionization of hydrogen at threshold, * 0 is 1s, 1 is 2s, 2 is 2p, up to 400 */ realnum STH[NHYDRO_MAX_LEVEL]; /* coll_ion.dat */ double CF[30][30][5]; /* h_coll_str.dat */ /** array of EIE cross sections for hydrogen atom. * For all E1 transitions nl - n'l', with n' < n <= 5 */ /* >>refer H1 cs Anderson, H., Ballance, C.P., Badnell, N.R., & Summers, H.P., * >>refercon 2000, J Phys B, 33, 1255; erratum, 2002 */ double HCS[14][10][8]; public: /** set_version set version of phfit data to be used \param val */ void set_version(phfit_version val) { version = val; } /** get_version which version of phfit data should be used? */ phfit_version get_version() const { return version; } /** ph1 access elements of PH1 data block with parameters for photoionization cross section fits \param i \param j \param k \param l */ realnum ph1(int i, int j, int k, int l) const { return PH1[i][j][k][l]; } /** sth array of cross sections for photoionization of hydrogen at threshold, 0 is 1s, 1 is 2s, 2 is 2p, up to 400 \param i */ realnum sth(int i) const { return STH[i]; } /** phfit this subroutine calculates partial photoionization cross sections for all ionization stages of all atoms from H to Zn (Z=30) \param nz \param ne \param is \param e \author Dima Verner */ double phfit(long int nz, long int ne, long int is, double e); /** hpfit state specific photoionization cross sections for model hydrogen atom \param iz \param n \param e \author Dima Verner */ double hpfit(long int iz, long int n, double e); /** rec_lines effective recombination coefficients for lines of C, N, O, by D. Verner \param t \param r \author Dima Verner */ void rec_lines(double t, realnum r[][471]); /** rad_rec calculates rates of radiative recombination for all ions \param iz nuclear number on physics scale \param in number of recombined electrons \param t temperature K \author Dima Verner */ double rad_rec(long int iz, long int in, double t); /** H_rad_rec calculates state-specific recombination rates for H and H-like ions \param iz \param n \param t \author Dima Verner */ double H_rad_rec(long int iz, long int n, double t); /** coll_ion D Verner's routine to compute collisional ionization rate coefficients \param iz \param in \param t \author Dima Verner */ double coll_ion(long int iz, long int in, double t); double coll_ion_wrapper(long int z, long int n, double t); /* coll_ion_hybrid computes hybrid collisional ionization rates */ double coll_ion_hybrid( long int z, long int n, double t); /** h_coll_str routine to grab H cross sections from Anderson et al. 2002. \param ipLo \param ipHi \param ipTe */ realnum h_coll_str( long ipLo, long ipHi, long ipTe ); }; class Funct { public: virtual void operator()( long&, long&, const char*, long&) = 0; virtual ~Funct() = 0; }; inline Funct::~Funct() {}; typedef Funct* FunctPtr; class FunctLAMDA : public Funct { public: explicit FunctLAMDA(void) { } virtual void operator()( long& ipHi, long& ipLo, const char* chLine, long& i) { bool lgEOL; long index = (long)FFmtRead( chLine, &i, strlen(chLine), &lgEOL ); ASSERT( index > 0 ); ipHi = (long)FFmtRead( chLine, &i, strlen(chLine), &lgEOL ) - 1; ipLo = (long)FFmtRead( chLine, &i, strlen(chLine), &lgEOL ) - 1; return; } private: }; #include "h2_priv.h" class FunctDiatoms : public Funct { public: explicit FunctDiatoms(const diatomics& diatom) : diatom_(diatom) { } virtual void operator()( long& ipHi, long& ipLo, const char* chLine, long& i) { diatom_.GetIndices( ipHi, ipLo, chLine, i ); } private: const diatomics& diatom_; }; void ReadCollisionRateTable( CollRateCoeffArray& coll_rate_table, FILE* io, FunctPtr GetIndices, long nMolLevs, long nTemps = -1, long nTrans = -1 ); double InterpCollRate( const CollRateCoeffArray& rate_table, const long& ipHi, const long& ipLo, const double& ftemp); #endif /* ATMDAT_H_ */