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program test_compoundparser;
{$APPTYPE CONSOLE}
{$mode objfpc}
{$h+}
uses xraylib, xrltest, Classes, SysUtils, fpcunit, testreport, testregistry;
type
TestCompoundParser = class(TTestCase)
private
procedure _test_bad_compound(compound: string);
published
procedure test_good_compounds;
procedure test_bad_compounds;
end;
type
TestSymbolToAtomicNumber = class(TTestCase)
private
procedure _test_bad_symbol;
published
procedure test_Fe;
procedure test_bad_symbol;
end;
type
TestAtomicNumberToSymbol = class(TTestCase)
private
procedure _test_bad_symbol1;
procedure _test_bad_symbol2;
published
procedure test_Fe;
procedure test_bad_symbol;
end;
type
TestCrossValidation = class(TTestCase)
published
procedure test;
end;
procedure TestCompoundParser.test_good_compounds;
begin
CompoundParser('C19H29COOH');
CompoundParser('C12H10');
CompoundParser('C12H6O2');
CompoundParser('C6H5Br');
CompoundParser('C3H4OH(COOH)3');
CompoundParser('HOCH2CH2OH');
CompoundParser('C5H11NO2');
CompoundParser('CH3CH(CH3)CH3');
CompoundParser('NH2CH(C4H5N2)COOH');
CompoundParser('H2O');
CompoundParser('Ca5(PO4)3F');
CompoundParser('Ca5(PO4)3OH');
CompoundParser('Ca5.522(PO4.48)3OH');
CompoundParser('Ca5.522(PO.448)3OH');
end;
procedure TestCompoundParser.test_bad_compounds;
begin
_test_bad_compound('0C');
_test_bad_compound('2O');
_test_bad_compound('13Li');
_test_bad_compound('2(NO3)');
_test_bad_compound('H(2)');
_test_bad_compound('Ba(12)');
_test_bad_compound('Cr(5)3');
_test_bad_compound('Pb(13)2');
_test_bad_compound('Au(22)11');
_test_bad_compound('Au11(H3PO4)2)');
_test_bad_compound('Au11(H3PO4))2');
_test_bad_compound('Au(11(H3PO4))2');
_test_bad_compound('Ca5.522(PO.44.8)3OH');
_test_bad_compound('Ba[12]');
_test_bad_compound('Auu1');
_test_bad_compound('AuL1');
_test_bad_compound(' ');
_test_bad_compound('\t');
_test_bad_compound('\n');
_test_bad_compound('Au L1');
_test_bad_compound('Au\tFe');
_test_bad_compound('CuI2ww');
end;
procedure TestCompoundParser._test_bad_compound(compound: string);
begin
try
CompoundParser(compound);
except
on E: EArgumentException do
begin
exit;
end;
end;
Fail('Expected exception was not raised for ' + compound);
end;
procedure TestSymbolToAtomicNumber.test_Fe;
begin
AssertEquals(SymbolToAtomicNumber('Fe'), 26);
end;
procedure TestSymbolToAtomicNumber._test_bad_symbol;
begin
SymbolToAtomicNumber('Uu');
end;
procedure TestSymbolToAtomicNumber.test_bad_symbol;
begin
AssertException(EArgumentException, @_test_bad_symbol);
end;
procedure TestAtomicNumberToSymbol.test_Fe;
begin
AssertEquals(AtomicNumberToSymbol(26), 'Fe');
end;
procedure TestAtomicNumberToSymbol._test_bad_symbol1;
begin
AtomicNumberToSymbol(-2);
end;
procedure TestAtomicNumberToSymbol._test_bad_symbol2;
begin
AtomicNumberToSymbol(108);
end;
procedure TestAtomicNumberToSymbol.test_bad_symbol;
begin
AssertException(EArgumentException, @_test_bad_symbol1);
AssertException(EArgumentException, @_test_bad_symbol2);
end;
procedure TestCrossValidation.test;
var
Z: integer;
begin
for Z := 1 to 107 do
begin
AssertEquals(SymbolToAtomicNumber(AtomicNumberToSymbol(Z)), Z);
end;
end;
var
App: TestRunner;
begin
RegisterTest(TestCompoundParser);
RegisterTest(TestSymbolToAtomicNumber);
RegisterTest(TestAtomicNumberToSymbol);
RegisterTest(TestCrossValidation);
App := TestRunner.Create(nil);
App.Initialize;
App.Run;
App.Free;
end.
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