EIRAM
atomic and molecular data in form of polynomial fits
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Functions/Subroutines | |
logical function, public | eiram_test_wrong_file () |
Test for correct error codes if the input file does not exist or is malformed. More... | |
logical function, public | eiram_test_used_uninitialized () |
Test for correct error codes if eiram is used without initialization. More... | |
logical function, public | eiram_test_load () |
Technical test which shows that expected number of reactions is loaded from each input file. More... | |
logical function, public | eiram_test_wrong_ids () |
Test for correct error codes if reaction ID is invalid. More... | |
logical function, public | eiram_test_unknown_reaction () |
Test for correct error code when querying id for an unknown reaction. More... | |
logical function, public | eiram_test_wrong_type () |
Test for correct error codes if _calc1 is called for double polynomial or _calc2, _calc12 is called for single polynomial. More... | |
logical function, public | eiram_test_wrong_size () |
Test for correct error codes in case of mismatch of the array lengths. More... | |
logical function, public | eiram_test_calculation () |
Regression tests: compare calculated values with references. More... | |
logical function, public | eiram_test_calc12 () |
Regression test for subroutines _calc12 and _get_order compare _calc12 with subsequent call of _fit with _calc2. More... | |
logical function, public | eiram_test_image () |
Technical test of eiram_create_image. More... | |
Variables | |
real(eiram_dp), parameter | rel_tolerance = 1e-7 |
Maximum relative error, parameter which is used to compare two values. More... | |
character(*), parameter | data_file_path = "../data/" |
integer, parameter | n_reactions = 5 |
integer, parameter | n_energy = 5 |
character(9), dimension(n_reactions), parameter | files = (/ "HYDHELvk " , "AMJUELvk " , "HYDHELvk " , "AMJUELvk ", "METHANEvk" /) |
character(6), dimension(n_reactions), parameter | types = (/ "H.1" , "H.2" , "H.3" , "H.4", "H.2" /) |
character(8), dimension(n_reactions), parameter | indices = (/ "3.1.8 ", "2.4B0 ", "3.1.8 " , "2.1.5 ", "2.23 "/) |
real(eiram_dp), dimension(n_energy), parameter | energy = (/ 5e-1, 1e0, 1e1, 1e2, 1e3 /) |
real(eiram_dp), dimension(n_reactions), parameter | x1 = (/ -1e0, -1e0, 1e1, 1e6, -1e0 /) |
real(eiram_dp), dimension(n_energy, n_reactions), parameter | reference_values = reshape( (/ 6.313479104896471d-15, 6.034774383818398d-15, 4.631473573509119d-15, 3.143444136405398d-15, 1.744077658482620d-15, 1.229920711197272d-16, 1.857264485174120d-12, 2.944795004910767d-08, 1.073462933550498d-07, 7.992508213267738d-08, 2.064031139307574d-08, 2.084428058191167d-08, 2.582052648196180d-08, 4.420072796238867d-08, 8.043311877821200d-08, 1.865302180435326d-19, 4.904897322289924d-14, 9.954471496437615d-09, 4.738209685016329d-08, 2.907993073331902d-08, 1.320141447945264d-18, 9.051595057476462d-14, 2.966866133652682d-08, 1.909445571151299d-07, 1.391314913417069d-07 /), (/N_ENERGY,N_REACTIONS/)) |
Reference values for regression tests in eiram_test_calculation. More... | |
logical function, public eiram_test::eiram_test_wrong_file | ( | ) |
Test for correct error codes if the input file does not exist or is malformed.
Definition at line 76 of file eiram_test.f90.
References data_file_path, eiram::eiram_deallocate(), and eiram::eiram_load().
Referenced by test().
logical function, public eiram_test::eiram_test_used_uninitialized | ( | ) |
Test for correct error codes if eiram is used without initialization.
Definition at line 93 of file eiram_test.f90.
References eiram::eiram_calc1(), eiram::eiram_calc12(), eiram::eiram_calc2(), eiram::eiram_create_image(), eiram::eiram_deallocate(), eiram::eiram_get_id(), and eiram::eiram_get_order().
Referenced by test().
logical function, public eiram_test::eiram_test_load | ( | ) |
Technical test which shows that expected number of reactions is loaded from each input file.
Definition at line 120 of file eiram_test.f90.
References data_file_path, eiram::eiram_deallocate(), eiram::eiram_load(), and eiram::eiram_nreact.
Referenced by test().
logical function, public eiram_test::eiram_test_wrong_ids | ( | ) |
Test for correct error codes if reaction ID is invalid.
Definition at line 214 of file eiram_test.f90.
References data_file_path, eiram::eiram_calc1(), eiram::eiram_calc12(), eiram::eiram_calc2(), eiram::eiram_deallocate(), and eiram::eiram_load().
Referenced by test().
logical function, public eiram_test::eiram_test_unknown_reaction | ( | ) |
Test for correct error code when querying id for an unknown reaction.
Definition at line 242 of file eiram_test.f90.
References data_file_path, eiram::eiram_deallocate(), eiram::eiram_get_id(), and eiram::eiram_load().
Referenced by test().
logical function, public eiram_test::eiram_test_wrong_type | ( | ) |
Test for correct error codes if _calc1 is called for double polynomial or _calc2, _calc12 is called for single polynomial.
Definition at line 268 of file eiram_test.f90.
References data_file_path, eiram::eiram_calc1(), eiram::eiram_calc12(), eiram::eiram_calc2(), eiram::eiram_deallocate(), eiram::eiram_get_id(), and eiram::eiram_load().
Referenced by test().
logical function, public eiram_test::eiram_test_wrong_size | ( | ) |
Test for correct error codes in case of mismatch of the array lengths.
Definition at line 294 of file eiram_test.f90.
References data_file_path, eiram::eiram_calc1(), eiram::eiram_calc12(), eiram::eiram_calc2(), eiram::eiram_deallocate(), eiram::eiram_get_id(), and eiram::eiram_load().
logical function, public eiram_test::eiram_test_calculation | ( | ) |
Regression tests: compare calculated values with references.
Definition at line 325 of file eiram_test.f90.
References data_file_path, eiram::eiram_calc1(), eiram::eiram_calc2(), eiram::eiram_deallocate(), eiram::eiram_get_id(), eiram::eiram_load(), energy, files, indices, n_reactions, reference_values, types, and x1.
Referenced by test().
logical function, public eiram_test::eiram_test_calc12 | ( | ) |
Regression test for subroutines _calc12 and _get_order compare _calc12 with subsequent call of _fit with _calc2.
Definition at line 371 of file eiram_test.f90.
References data_file_path, eiram::eiram_calc12(), eiram::eiram_calc2(), eiram::eiram_deallocate(), eiram::eiram_fit, eiram::eiram_get_id(), eiram::eiram_get_order(), and eiram::eiram_load().
Referenced by test().
logical function, public eiram_test::eiram_test_image | ( | ) |
Technical test of eiram_create_image.
Definition at line 415 of file eiram_test.f90.
References data_file_path, eiram::eiram_create_image(), eiram::eiram_deallocate(), eiram::eiram_load(), and rel_tolerance.
Referenced by test().
real(eiram_dp), parameter eiram_test::rel_tolerance = 1e-7 |
Maximum relative error, parameter which is used to compare two values.
Definition at line 44 of file eiram_test.f90.
Referenced by eiram_test_image().
character(*), parameter eiram_test::data_file_path = "../data/" |
Definition at line 45 of file eiram_test.f90.
Referenced by eiram_test_calc12(), eiram_test_calculation(), eiram_test_image(), eiram_test_load(), eiram_test_unknown_reaction(), eiram_test_wrong_file(), eiram_test_wrong_ids(), eiram_test_wrong_size(), and eiram_test_wrong_type().
integer, parameter eiram_test::n_reactions = 5 |
Definition at line 46 of file eiram_test.f90.
Referenced by DEFUN_DLD(), and eiram_test_calculation().
integer, parameter eiram_test::n_energy = 5 |
Definition at line 47 of file eiram_test.f90.
character(9), dimension(n_reactions), parameter eiram_test::files = (/ "HYDHELvk " , "AMJUELvk " , "HYDHELvk " , "AMJUELvk ", "METHANEvk" /) |
Definition at line 48 of file eiram_test.f90.
Referenced by eiram_test_calculation().
character(6), dimension(n_reactions), parameter eiram_test::types = (/ "H.1" , "H.2" , "H.3" , "H.4", "H.2" /) |
Definition at line 49 of file eiram_test.f90.
Referenced by eiram_test_calculation().
character(8), dimension(n_reactions), parameter eiram_test::indices = (/ "3.1.8 ", "2.4B0 ", "3.1.8 " , "2.1.5 ", "2.23 "/) |
Definition at line 50 of file eiram_test.f90.
Referenced by eiram_test_calculation().
real(eiram_dp), dimension(n_energy), parameter eiram_test::energy = (/ 5e-1, 1e0, 1e1, 1e2, 1e3 /) |
Definition at line 51 of file eiram_test.f90.
Referenced by eiram_test_calculation().
real(eiram_dp), dimension(n_reactions), parameter eiram_test::x1 = (/ -1e0, -1e0, 1e1, 1e6, -1e0 /) |
Definition at line 52 of file eiram_test.f90.
Referenced by eiram_test_calculation().
real(eiram_dp), dimension(n_energy,n_reactions), parameter eiram_test::reference_values = reshape( (/ 6.313479104896471d-15, 6.034774383818398d-15, 4.631473573509119d-15, 3.143444136405398d-15, 1.744077658482620d-15, 1.229920711197272d-16, 1.857264485174120d-12, 2.944795004910767d-08, 1.073462933550498d-07, 7.992508213267738d-08, 2.064031139307574d-08, 2.084428058191167d-08, 2.582052648196180d-08, 4.420072796238867d-08, 8.043311877821200d-08, 1.865302180435326d-19, 4.904897322289924d-14, 9.954471496437615d-09, 4.738209685016329d-08, 2.907993073331902d-08, 1.320141447945264d-18, 9.051595057476462d-14, 2.966866133652682d-08, 1.909445571151299d-07, 1.391314913417069d-07 /), (/N_ENERGY,N_REACTIONS/)) |
Reference values for regression tests in eiram_test_calculation.
Definition at line 54 of file eiram_test.f90.
Referenced by eiram_test_calculation().