Feature/thermr #34
Feature/thermr #34
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| "file that corresponds to an MF (endf file label) = 7 (thermal \n" | ||
| "scattering).\n" | ||
| "\n" | ||
| "nendf values are restricted to equal either 0, some integer with\n" |
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I don't think a value of 0 is valid for nendf. If nothing provided, what processing can be done?
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So test problem 1 in the manual has a value of zero, and pg. 174 of the manual states
"The required ENDF tape (nendf) is only used for MF=7 data; it can be set to zero if only free-gas scattering is needed."
Which this makes me think, I should probably set a check to ensure that if nendf == 0, then card2's iin should be equal to 1 (free gas).
| } | ||
| } // THEN | ||
| } // WHEN | ||
| WHEN( "nout input is equal to nendf value" ){ |
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What about when nout is equal to nin?
| REQUIRE( card1.nout.value == 22 ); | ||
| } // THEN | ||
| } // WHEN | ||
| WHEN( "thermal scattering data not provided" ){ |
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Again, I don't think nendf=0 is valid. If I'm wrong, please show me.
| } // THEN | ||
| } // WHEN | ||
| WHEN( "an input tape is out of range" ){ | ||
| iRecordStream<char> iss1( std::istringstream("20 21 100\n") ); |
| } // GIVEN | ||
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| GIVEN( "invalid icoh values" ){ | ||
| std::vector<int> invalidValues{-1, 4, 10, 14}; |
| argument::extract< THERMR::Card3::Tempr >(iss, ntemp) ); | ||
| } // THEN | ||
| } // WHEN | ||
| WHEN( "there are too many temprerature values" ){ |
| static std::string description(){ | ||
| return | ||
| "The emax argument is the maximum energy for thermal treatment. For\n" | ||
| "temperatures greater than 3000 kelvin, emax and the energy grid are\n" |
| "linear interpolation is within a specified fractional tolerance (tol)\n" | ||
| "of the exact cross section at every point.\n" | ||
| "\n" | ||
| "tol must be some decimal value greater than 1.0e-6."; |
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Where did you find this limit? It sounds reasonable, but I don't know where it comes from.
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I found a definition of tol_min in the thermr.f90 file, on line 708, so I assumed that would be the reasonable lower bound
| } // GIVEN | ||
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| GIVEN( "invalid Card4 inputs" ){ | ||
| WHEN( "an input tape is out of range" ){ |
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ThisWHEN statement isn't correct.
| REQUIRE_THROWS( THERMR( iss2 ) ); | ||
| } // THEN | ||
| } // WHEN | ||
| WHEN( "card1 input files repeated" ){ |
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It seems there is a bug in the code and it won't compile all the way. Probably a simple fix @ameliajo |
| if ( not nendf.value and i != 1 ){ | ||
| Log::warning("iin value indicates that the material will not be treated\n" | ||
| "as a free gas, which conflicts with earlier definition of\n" | ||
| "card1 nendf input. If nendf equals 0, iin must equal 1.\n"); |
| return false; | ||
| } | ||
| // Make sure temperatures are in increasing order | ||
| auto unsortedStart = std::is_sorted_until( temps.begin(), temps.end() ); |
| "The tempr argument is a list of ntemp temperatures (where ntemp was\n" | ||
| "defined in card2). These tempr inputs are the temperatures at which\n" | ||
| "the thermal scattering cross sections are evaluated. Each\n" | ||
| "temperature is in kelvin, and therefore must be positive."; |
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| static bool verify( const Value_t& temps, | ||
| const Argument< THERMR::Card2::Ntemp > & ntemp ){ | ||
| if ( long(temps.size()) != ntemp.value ){ |
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The vector parser does this before the verification is called. This check is redundant.
| } | ||
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| // Make sure all temperatures are positive | ||
| auto found = std::find_if( temps.begin(), temps.end(), |
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very good use of the standard algorithms
| argument::extract< THERMR::Card3::Tempr >(iss, ntemp) ); | ||
| } // THEN | ||
| } // WHEN | ||
| WHEN( "there are too many temperature values" ){ |
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This test ought not be done here. That check is normally done when you call to Card::clear
| argument::extract< THERMR::Card3::Tempr >(iss, ntemp) ); | ||
| } // THEN | ||
| } // WHEN | ||
| WHEN( "there are not enough temperature values" ){ |
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You'll notice that you don't see the error message here you might have expected
| } | ||
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| <<<<<<< HEAD |
THERMR input checks for all cards