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use Catch2 version 3.x #444

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2 changes: 1 addition & 1 deletion layerCTest/Test.cpp
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Expand Up @@ -8,7 +8,7 @@
#include <fstream>
#include <iostream>
#define CATCH_CONFIG_RUNNER
#include <catch2/catch.hpp>
#include <catch2/catch_all.hpp>
#include "Test.h"
#include "TestCmdTest2.h"

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2 changes: 1 addition & 1 deletion layerCTest/Test.h
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Expand Up @@ -11,7 +11,7 @@
#include "PConv.h"
#include "pymol/type_traits.h"
#include "pymol/algorithm.h"
#include <catch2/catch.hpp>
#include <catch2/catch_all.hpp>

namespace pymol {

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74 changes: 37 additions & 37 deletions layerCTest/Test_CCrystal.cpp
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Expand Up @@ -6,12 +6,12 @@
TEST_CASE("cryst-misc", "[CCrystal]")
{
CCrystal cryst(nullptr);
REQUIRE(cryst.dims()[0] == Approx(1.0));
REQUIRE(cryst.dims()[1] == Approx(1.0));
REQUIRE(cryst.dims()[2] == Approx(1.0));
REQUIRE(cryst.angles()[0] == Approx(90.0));
REQUIRE(cryst.angles()[1] == Approx(90.0));
REQUIRE(cryst.angles()[2] == Approx(90.0));
REQUIRE(cryst.dims()[0] == Catch::Approx(1.0));
REQUIRE(cryst.dims()[1] == Catch::Approx(1.0));
REQUIRE(cryst.dims()[2] == Catch::Approx(1.0));
REQUIRE(cryst.angles()[0] == Catch::Approx(90.0));
REQUIRE(cryst.angles()[1] == Catch::Approx(90.0));
REQUIRE(cryst.angles()[2] == Catch::Approx(90.0));
REQUIRE(is_identityf(3, cryst.fracToReal()));
REQUIRE(is_identityf(3, cryst.realToFrac()));

Expand All @@ -20,12 +20,12 @@ TEST_CASE("cryst-misc", "[CCrystal]")
float const f2r_458[] = {4, 0, 0, 0, 5, 0, 0, 0, 8};
float const r2f_458[] = {0.25, 0, 0, 0, 0.2, 0, 0, 0, 0.125};

REQUIRE(cryst.dims()[0] == Approx(4.0));
REQUIRE(cryst.dims()[1] == Approx(5.0));
REQUIRE(cryst.dims()[2] == Approx(8.0));
REQUIRE(cryst.angles()[0] == Approx(90.0));
REQUIRE(cryst.angles()[1] == Approx(90.0));
REQUIRE(cryst.angles()[2] == Approx(90.0));
REQUIRE(cryst.dims()[0] == Catch::Approx(4.0));
REQUIRE(cryst.dims()[1] == Catch::Approx(5.0));
REQUIRE(cryst.dims()[2] == Catch::Approx(8.0));
REQUIRE(cryst.angles()[0] == Catch::Approx(90.0));
REQUIRE(cryst.angles()[1] == Catch::Approx(90.0));
REQUIRE(cryst.angles()[2] == Catch::Approx(90.0));
REQUIRE(is_allclosef(3, cryst.fracToReal(), 3, f2r_458, 3));
REQUIRE(is_allclosef(3, cryst.realToFrac(), 3, r2f_458, 3));

Expand All @@ -36,52 +36,52 @@ TEST_CASE("cryst-misc", "[CCrystal]")
float const r2f_458_607080[] = {
0.25, -0.0441, -0.0796, 0., 0.2031, -0.11, 0., 0., 0.1513};

REQUIRE(cryst.dims()[0] == Approx(4.0));
REQUIRE(cryst.dims()[1] == Approx(5.0));
REQUIRE(cryst.dims()[2] == Approx(8.0));
REQUIRE(cryst.angles()[0] == Approx(60.0));
REQUIRE(cryst.angles()[1] == Approx(70.0));
REQUIRE(cryst.angles()[2] == Approx(80.0));
REQUIRE(cryst.dims()[0] == Catch::Approx(4.0));
REQUIRE(cryst.dims()[1] == Catch::Approx(5.0));
REQUIRE(cryst.dims()[2] == Catch::Approx(8.0));
REQUIRE(cryst.angles()[0] == Catch::Approx(60.0));
REQUIRE(cryst.angles()[1] == Catch::Approx(70.0));
REQUIRE(cryst.angles()[2] == Catch::Approx(80.0));
REQUIRE(is_allclosef(3, cryst.fracToReal(), 3, f2r_458_607080, 3, 1e-3));
REQUIRE(is_allclosef(3, cryst.realToFrac(), 3, r2f_458_607080, 3, 1e-3));

// volume
REQUIRE(cryst.unitCellVolume() == Approx(130.20694));
REQUIRE(cryst.unitCellVolume() == Catch::Approx(130.20694));

// cross-check
REQUIRE(!is_identityf(3, cryst.fracToReal()));
REQUIRE(!is_allclosef(3, cryst.fracToReal(), 3, r2f_458_607080, 3, 1e-3));

// copy
auto crystcopy = cryst;
REQUIRE(crystcopy.dims()[0] == Approx(4.0));
REQUIRE(crystcopy.dims()[1] == Approx(5.0));
REQUIRE(crystcopy.dims()[2] == Approx(8.0));
REQUIRE(crystcopy.angles()[0] == Approx(60.0));
REQUIRE(crystcopy.angles()[1] == Approx(70.0));
REQUIRE(crystcopy.angles()[2] == Approx(80.0));
REQUIRE(crystcopy.dims()[0] == Catch::Approx(4.0));
REQUIRE(crystcopy.dims()[1] == Catch::Approx(5.0));
REQUIRE(crystcopy.dims()[2] == Catch::Approx(8.0));
REQUIRE(crystcopy.angles()[0] == Catch::Approx(60.0));
REQUIRE(crystcopy.angles()[1] == Catch::Approx(70.0));
REQUIRE(crystcopy.angles()[2] == Catch::Approx(80.0));
REQUIRE(is_allclosef(3, crystcopy.fracToReal(), 3, f2r_458_607080, 3, 1e-3));
REQUIRE(is_allclosef(3, crystcopy.realToFrac(), 3, r2f_458_607080, 3, 1e-3));

// reset
cryst = CCrystal(nullptr);
REQUIRE(cryst.dims()[0] == Approx(1.0));
REQUIRE(cryst.dims()[1] == Approx(1.0));
REQUIRE(cryst.dims()[2] == Approx(1.0));
REQUIRE(cryst.angles()[0] == Approx(90.0));
REQUIRE(cryst.angles()[1] == Approx(90.0));
REQUIRE(cryst.angles()[2] == Approx(90.0));
REQUIRE(cryst.dims()[0] == Catch::Approx(1.0));
REQUIRE(cryst.dims()[1] == Catch::Approx(1.0));
REQUIRE(cryst.dims()[2] == Catch::Approx(1.0));
REQUIRE(cryst.angles()[0] == Catch::Approx(90.0));
REQUIRE(cryst.angles()[1] == Catch::Approx(90.0));
REQUIRE(cryst.angles()[2] == Catch::Approx(90.0));
REQUIRE(is_identityf(3, cryst.fracToReal()));
REQUIRE(is_identityf(3, cryst.realToFrac()));

// set frac-to-real
cryst.setFracToReal(f2r_458_607080);
REQUIRE(cryst.dims()[0] == Approx(4.0));
REQUIRE(cryst.dims()[1] == Approx(5.0));
REQUIRE(cryst.dims()[2] == Approx(8.0));
REQUIRE(cryst.angles()[0] == Approx(60.0));
REQUIRE(cryst.angles()[1] == Approx(70.0));
REQUIRE(cryst.angles()[2] == Approx(80.0));
REQUIRE(cryst.dims()[0] == Catch::Approx(4.0));
REQUIRE(cryst.dims()[1] == Catch::Approx(5.0));
REQUIRE(cryst.dims()[2] == Catch::Approx(8.0));
REQUIRE(cryst.angles()[0] == Catch::Approx(60.0));
REQUIRE(cryst.angles()[1] == Catch::Approx(70.0));
REQUIRE(cryst.angles()[2] == Catch::Approx(80.0));
REQUIRE(is_allclosef(3, cryst.fracToReal(), 3, f2r_458_607080, 3, 1e-3));
REQUIRE(is_allclosef(3, cryst.realToFrac(), 3, r2f_458_607080, 3, 1e-3));
}
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12 changes: 6 additions & 6 deletions layerCTest/Test_CifFile.cpp
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Expand Up @@ -99,8 +99,8 @@ TEST_CASE("misc", "[CifFile]")
// type deducted from default value

REQUIRE(data->get_opt("_cat2.key1")->as(0, 99) / 3 == 3); // int
REQUIRE(data->get_opt("_cat2.key1")->as(0, 99) / 3 != Approx(10. / 3.)); // int
REQUIRE(data->get_opt("_cat2.key1")->as(0, 99.) / 3 == Approx(10. / 3.)); // double
REQUIRE(data->get_opt("_cat2.key1")->as(0, 99) / 3 != Catch::Approx(10. / 3.)); // int
REQUIRE(data->get_opt("_cat2.key1")->as(0, 99.) / 3 == Catch::Approx(10. / 3.)); // double
REQUIRE(data->get_opt("_cat2.key2")->as(0, 99.) == 0.1);
REQUIRE(data->get_opt("_cat2.key3")->as(0, 99.f) == 99.f);
REQUIRE(data->get_opt("_cat2.key4")->as(0, std::string("type deducted")) == "foo");
Expand Down Expand Up @@ -142,10 +142,10 @@ TEST_CASE("misc", "[CifFile]")

// float parsing

REQUIRE(blocks.find("baz")->second.get_opt("_typed_float1")->as<float>() == Approx(1230.f));
REQUIRE(blocks.find("baz")->second.get_opt("_typed_float1")->as<double>() == Approx(1230.00000));
REQUIRE(blocks.find("baz")->second.get_opt("_typed_float2")->as<double>() == Approx(12.3400000));
REQUIRE(blocks.find("baz")->second.get_opt("_typed_float3")->as<double>() == Approx(1.23456789));
REQUIRE(blocks.find("baz")->second.get_opt("_typed_float1")->as<float>() == Catch::Approx(1230.f));
REQUIRE(blocks.find("baz")->second.get_opt("_typed_float1")->as<double>() == Catch::Approx(1230.00000));
REQUIRE(blocks.find("baz")->second.get_opt("_typed_float2")->as<double>() == Catch::Approx(12.3400000));
REQUIRE(blocks.find("baz")->second.get_opt("_typed_float3")->as<double>() == Catch::Approx(1.23456789));
}

// vi:sw=2:expandtab
34 changes: 17 additions & 17 deletions layerCTest/Test_TTT.cpp
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Expand Up @@ -126,10 +126,10 @@ TEST_CASE("TTT Matrix Rotate and Get Rotation", "[TTT Matrix]")
ttt.rotate(degRot, axis);
ttt.rotate(degRot, axis2);
auto rot = ttt.getRotation();
REQUIRE(rot[0] == Approx(0.5f));
REQUIRE(rot[1] == Approx(0.5f));
REQUIRE(rot[2] == Approx(0.5f));
REQUIRE(rot[3] == Approx(0.5f));
REQUIRE(rot[0] == Catch::Approx(0.5f));
REQUIRE(rot[1] == Catch::Approx(0.5f));
REQUIRE(rot[2] == Catch::Approx(0.5f));
REQUIRE(rot[3] == Catch::Approx(0.5f));
}

TEST_CASE("TTT Matrix - TTT Matrix Multiply", "[TTT Matrix]")
Expand Down Expand Up @@ -248,19 +248,19 @@ TEST_CASE("TTT Lerp", "[TTT Matrix]")
auto rot = lerped_ttt.getRotation();
auto post = lerped_ttt.getPostTranslation();

REQUIRE(pre[0] == Approx(-150.0f));
REQUIRE(pre[1] == Approx(-250.0f));
REQUIRE(pre[2] == Approx(-350.0f));
REQUIRE(pre[0] == Approx(-150.0f));
REQUIRE(pre[1] == Approx(-250.0f));
REQUIRE(pre[2] == Approx(-350.0f));
REQUIRE(rot[0] == Approx(0.40825f));
REQUIRE(rot[1] == Approx(0.40825f));
REQUIRE(rot[2] == Approx(0.0f));
REQUIRE(rot[3] == Approx(0.40825f * 2.0f));
REQUIRE(post[0] == Approx( 165.0f));
REQUIRE(post[1] == Approx( 275.0f));
REQUIRE(post[2] == Approx( 385.0f));
REQUIRE(pre[0] == Catch::Approx(-150.0f));
REQUIRE(pre[1] == Catch::Approx(-250.0f));
REQUIRE(pre[2] == Catch::Approx(-350.0f));
REQUIRE(pre[0] == Catch::Approx(-150.0f));
REQUIRE(pre[1] == Catch::Approx(-250.0f));
REQUIRE(pre[2] == Catch::Approx(-350.0f));
REQUIRE(rot[0] == Catch::Approx(0.40825f));
REQUIRE(rot[1] == Catch::Approx(0.40825f));
REQUIRE(rot[2] == Catch::Approx(0.0f));
REQUIRE(rot[3] == Catch::Approx(0.40825f * 2.0f));
REQUIRE(post[0] == Catch::Approx( 165.0f));
REQUIRE(post[1] == Catch::Approx( 275.0f));
REQUIRE(post[2] == Catch::Approx( 385.0f));
}

TEST_CASE("TTT Serialize To", "[TTT Matrix]")
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1 change: 1 addition & 0 deletions setup.py
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Expand Up @@ -637,6 +637,7 @@ def make_launch_script(self):
if options.testing:
pymol_src_dirs += ["layerCTest"]
def_macros += [("_PYMOL_CTEST", None)]
libs += ["Catch2"]

if options.openvr:
def_macros += [("_PYMOL_OPENVR", None)]
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