Switch a bunch of C++ tests to use catch2 (#8625)

2026-06-04 21:54:27 +08:00 · 2025-07-18 11:50:38 +02:00
parent bf44cdb4d9
commit ebd7dad122
28 changed files with 1896 additions and 2479 deletions
--- a/Code/Query/test.cpp
+++ b/Code/Query/test.cpp
@@ -1,5 +1,5 @@
 //
-// Copyright (c) 2003-2020 Greg Landrum and Rational Discovery LLC
+// Copyright (c) 2003-2025 Greg Landrum and other RDKit contributors
 //
 //   @@ All Rights Reserved @@
 //  This file is part of the RDKit.
@@ -8,7 +8,7 @@
 //  of the RDKit source tree.
 //

-#include <RDGeneral/test.h>
+#include <catch2/catch_all.hpp>
 #include "QueryObjects.h"
 #include <iostream>
 #include <cmath>
@@ -17,60 +17,157 @@
 using namespace std;
 using namespace Queries;

-void test1() {
-  cout << "Float" << endl;
+int foofun(double bar) { return int(floor(bar)); };
+
+bool matchF(int v) { return v == 3; }
+
+int dataF(float v) { return int(floor(v)) * 3; }
+
+bool cmp(int v) { return v < 3; }
+
+TEST_CASE("basics1_Query") {
+  Query<int, float, true> q;
+  q.setMatchFunc(matchF);
+  q.setDataFunc(dataF);
+
+  REQUIRE(!q.Match(0.0));
+  REQUIRE(q.Match(1.0));
+  REQUIRE(q.Match(1.1));
+  REQUIRE(!q.Match(-2.0));
+
+  REQUIRE(!q.getMatchFunc()(0));
+  REQUIRE(q.getMatchFunc()(3));
+  REQUIRE(q.getDataFunc()(1.0) == dataF(1.0));
+}
+
+TEST_CASE("basics1_Query2") {
+  Query<bool, int, true> q2;
+  q2.setDataFunc(cmp);
+
+  REQUIRE(q2.Match(0));
+  REQUIRE(q2.Match(1));
+  REQUIRE(!q2.Match(3));
+  REQUIRE(!q2.Match(4));
+  REQUIRE(!q2.Match(4.0));
+}
+
+TEST_CASE("basics2_Equality") {
+  EqualityQuery<int> q2;
+  q2.setVal(3);
+
+  REQUIRE(!q2.Match(0));
+  REQUIRE(!q2.Match(1));
+  REQUIRE(q2.Match(3));
+  REQUIRE(!q2.Match(-3));
+}
+
+TEST_CASE("basics2_Greater") {
+  GreaterQuery<int> q3;
+  q3.setVal(3);
+
+  REQUIRE(q3.Match(0));
+  REQUIRE(q3.Match(1));
+  REQUIRE(!q3.Match(3));
+  REQUIRE(!q3.Match(5));
+}
+
+TEST_CASE("basics2_GreaterEqual") {
+  GreaterEqualQuery<int> q4(3);
+
+  REQUIRE(q4.Match(0));
+  REQUIRE(q4.Match(1));
+  REQUIRE(q4.Match(3));
+  REQUIRE(!q4.Match(5));
+}
+
+TEST_CASE("basics2_Less") {
+  LessQuery<int> q5;
+  q5.setVal(3);
+
+  REQUIRE(!q5.Match(0));
+  REQUIRE(!q5.Match(1));
+  REQUIRE(!q5.Match(3));
+  REQUIRE(q5.Match(5));
+}
+
+TEST_CASE("basics2_LessEqual") {
+  LessEqualQuery<int> q6(3);
+
+  REQUIRE(!q6.Match(0));
+  REQUIRE(!q6.Match(1));
+  REQUIRE(q6.Match(3));
+  REQUIRE(q6.Match(5));
+}
+
+TEST_CASE("basics2_OpenRange") {
+  RangeQuery<int> q7(0, 3);
+
+  REQUIRE(!q7.Match(0));
+  REQUIRE(q7.Match(1));
+  REQUIRE(!q7.Match(3));
+  REQUIRE(!q7.Match(5));
+}
+
+TEST_CASE("basics2_ClosedRange") {
+  RangeQuery<int> q7(0, 3);
+  q7.setEndsOpen(false, false);
+
+  REQUIRE(q7.Match(0));
+  REQUIRE(q7.Match(1));
+  REQUIRE(q7.Match(3));
+  REQUIRE(!q7.Match(5));
+}
+
+TEST_CASE("testFloatEquality") {
  EqualityQuery<double> q(1.0);

-  TEST_ASSERT(!q.Match(0.0));
-  TEST_ASSERT(q.Match(1.0));
-  TEST_ASSERT(!q.Match(1.001));
-  TEST_ASSERT(!q.Match(1.1));
-  TEST_ASSERT(!q.Match(-2));
+  REQUIRE(!q.Match(0.0));
+  REQUIRE(q.Match(1.0));
+  REQUIRE(!q.Match(1.001));
+  REQUIRE(!q.Match(1.1));
+  REQUIRE(!q.Match(-2));

-  cout << "With Tolerance" << endl;
  q.setTol(0.002);
-  TEST_ASSERT(!q.Match(0.0));
-  TEST_ASSERT(q.Match(1.0));
-  TEST_ASSERT(q.Match(1.001));
-  TEST_ASSERT(!q.Match(1.1));
-  TEST_ASSERT(!q.Match(-2));
-  TEST_ASSERT(q.getTypeLabel().empty());
+  REQUIRE(!q.Match(0.0));
+  REQUIRE(q.Match(1.0));
+  REQUIRE(q.Match(1.001));
+  REQUIRE(!q.Match(1.1));
+  REQUIRE(!q.Match(-2));
+  REQUIRE(q.getTypeLabel().empty());
  q.setTypeLabel("FloatEquality");

  Query<double> *newQ;
  newQ = q.copy();
-  TEST_ASSERT(!newQ->Match(0.0));
-  TEST_ASSERT(newQ->Match(1.0));
-  TEST_ASSERT(newQ->Match(1.001));
-  TEST_ASSERT(!newQ->Match(1.1));
-  TEST_ASSERT(!newQ->Match(-2));
-  TEST_ASSERT(newQ->getTypeLabel() == "FloatEquality");
+  REQUIRE(!newQ->Match(0.0));
+  REQUIRE(newQ->Match(1.0));
+  REQUIRE(newQ->Match(1.001));
+  REQUIRE(!newQ->Match(1.1));
+  REQUIRE(!newQ->Match(-2));
+  REQUIRE(newQ->getTypeLabel() == "FloatEquality");
  delete newQ;
 }

-void test2() {
-  cout << "Set" << endl;
+TEST_CASE("testSetQuery") {
  SetQuery<int> q;
  q.insert(1);
  q.insert(3);
  q.insert(5);

-  TEST_ASSERT(!q.Match(0));
-  TEST_ASSERT(q.Match(1));
-  TEST_ASSERT(q.Match(3));
-  TEST_ASSERT(!q.Match(-3));
+  REQUIRE(!q.Match(0));
+  REQUIRE(q.Match(1));
+  REQUIRE(q.Match(3));
+  REQUIRE(!q.Match(-3));

  Query<int> *newQ;
  newQ = q.copy();
-  TEST_ASSERT(!newQ->Match(0));
-  TEST_ASSERT(newQ->Match(1));
-  TEST_ASSERT(newQ->Match(3));
-  TEST_ASSERT(!newQ->Match(-3));
+  REQUIRE(!newQ->Match(0));
+  REQUIRE(newQ->Match(1));
+  REQUIRE(newQ->Match(3));
+  REQUIRE(!newQ->Match(-3));
  delete newQ;
 }

-void test3() {
-  cout << "And" << endl;
+TEST_CASE("testAndQuery") {
  auto *q = new AndQuery<int>;
  auto *l = new LessQuery<int>;
  l->setVal(0);
@@ -80,24 +177,23 @@ void test3() {
  q->addChild(Query<int>::CHILD_TYPE(l));
  q->addChild(Query<int>::CHILD_TYPE(g));

-  TEST_ASSERT(!q->Match(0));
-  TEST_ASSERT(q->Match(1));
-  TEST_ASSERT(q->Match(3));
-  TEST_ASSERT(!q->Match(-3));
+  REQUIRE(!q->Match(0));
+  REQUIRE(q->Match(1));
+  REQUIRE(q->Match(3));
+  REQUIRE(!q->Match(-3));

  Query<int> *newQ;
  newQ = q->copy();
-  TEST_ASSERT(!newQ->Match(0));
-  TEST_ASSERT(newQ->Match(1));
-  TEST_ASSERT(newQ->Match(3));
-  TEST_ASSERT(!newQ->Match(-3));
+  REQUIRE(!newQ->Match(0));
+  REQUIRE(newQ->Match(1));
+  REQUIRE(newQ->Match(3));
+  REQUIRE(!newQ->Match(-3));

  delete newQ;
  delete q;
 }

-void test4() {
-  cout << "Or" << endl;
+TEST_CASE("testOrQuery") {
  auto *q = new OrQuery<int>;
  auto *l = new LessQuery<int>;
  l->setVal(0);
@@ -107,24 +203,23 @@ void test4() {
  q->addChild(Query<int>::CHILD_TYPE(l));
  q->addChild(Query<int>::CHILD_TYPE(g));

-  TEST_ASSERT(q->Match(0));
-  TEST_ASSERT(q->Match(1));
-  TEST_ASSERT(q->Match(3));
-  TEST_ASSERT(q->Match(-3));
+  REQUIRE(q->Match(0));
+  REQUIRE(q->Match(1));
+  REQUIRE(q->Match(3));
+  REQUIRE(q->Match(-3));

  Query<int> *newQ;
  newQ = q->copy();
-  TEST_ASSERT(newQ->Match(0));
-  TEST_ASSERT(newQ->Match(1));
-  TEST_ASSERT(newQ->Match(3));
-  TEST_ASSERT(newQ->Match(-3));
+  REQUIRE(newQ->Match(0));
+  REQUIRE(newQ->Match(1));
+  REQUIRE(newQ->Match(3));
+  REQUIRE(newQ->Match(-3));

  delete newQ;
  delete q;
 }

-void test5() {
-  cout << "XOr" << endl;
+TEST_CASE("testXOrQuery") {
  auto *q = new XOrQuery<int>;
  auto *l = new LessQuery<int>;
  l->setVal(0);
@@ -134,176 +229,73 @@ void test5() {
  q->addChild(Query<int>::CHILD_TYPE(l));
  q->addChild(Query<int>::CHILD_TYPE(g));

-  TEST_ASSERT(q->Match(-1));
-  TEST_ASSERT(q->Match(0));
-  TEST_ASSERT(!q->Match(1));
-  TEST_ASSERT(!q->Match(3));
-  TEST_ASSERT(q->Match(-3));
+  REQUIRE(q->Match(-1));
+  REQUIRE(q->Match(0));
+  REQUIRE(!q->Match(1));
+  REQUIRE(!q->Match(3));
+  REQUIRE(q->Match(-3));

  Query<int> *newQ;
  newQ = q->copy();
-  TEST_ASSERT(newQ->Match(-1));
-  TEST_ASSERT(newQ->Match(0));
-  TEST_ASSERT(!newQ->Match(1));
-  TEST_ASSERT(!newQ->Match(3));
-  TEST_ASSERT(newQ->Match(-3));
+  REQUIRE(newQ->Match(-1));
+  REQUIRE(newQ->Match(0));
+  REQUIRE(!newQ->Match(1));
+  REQUIRE(!newQ->Match(3));
+  REQUIRE(newQ->Match(-3));

  delete newQ;
  delete q;
 }

-int foofun(double bar) { return int(floor(bar)); };
-
-void test6() {
-  cout << "pointer and copy foo" << endl;
+TEST_CASE("testPointerAndCopyFoo") {
  EqualityQuery<int, double, true> q;
  q.setDataFunc(foofun);
  q.setVal(6);
-  TEST_ASSERT(q.Match(6.0));
-  TEST_ASSERT(q.Match(6.1));
-  TEST_ASSERT(!q.Match(5.0));
+  REQUIRE(q.Match(6.0));
+  REQUIRE(q.Match(6.1));
+  REQUIRE(!q.Match(5.0));

  Query<int, double, true> *newQ;
  newQ = q.copy();
-  TEST_ASSERT(newQ->Match(6.0));
-  TEST_ASSERT(newQ->Match(6.1));
-  TEST_ASSERT(!newQ->Match(5.0));
+  REQUIRE(newQ->Match(6.0));
+  REQUIRE(newQ->Match(6.1));
+  REQUIRE(!newQ->Match(5.0));

  Query<int, double, true> *newQ2 = &q;
-  TEST_ASSERT(newQ2->Match(6.0));
-  TEST_ASSERT(newQ2->Match(6.1));
-  TEST_ASSERT(!newQ2->Match(5.0));
+  REQUIRE(newQ2->Match(6.0));
+  REQUIRE(newQ2->Match(6.1));
+  REQUIRE(!newQ2->Match(5.0));

  Query<int, double, true> *newQ3;
  newQ3 = newQ2->copy();
-  TEST_ASSERT(newQ3->Match(6.0));
-  TEST_ASSERT(newQ3->Match(6.1));
-  TEST_ASSERT(!newQ3->Match(5.0));
+  REQUIRE(newQ3->Match(6.0));
+  REQUIRE(newQ3->Match(6.1));
+  REQUIRE(!newQ3->Match(5.0));

  delete newQ;
  delete newQ3;
 }

-bool matchF(int v) { return v == 3; }
-
-int dataF(float v) { return int(floor(v)) * 3; }
-
-bool cmp(int v) { return v < 3; }
-
-void basics1() {
-  cout << "Query" << endl;
-  Query<int, float, true> q;
-  q.setMatchFunc(matchF);
-  q.setDataFunc(dataF);
-
-  TEST_ASSERT(!q.Match(0.0));
-  TEST_ASSERT(q.Match(1.0));
-  TEST_ASSERT(q.Match(1.1));
-  TEST_ASSERT(!q.Match(-2.0));
-
-  TEST_ASSERT(!q.getMatchFunc()(0));
-  TEST_ASSERT(q.getMatchFunc()(3));
-  TEST_ASSERT(q.getDataFunc()(1.0) == dataF(1.0));
-
-  cout << "Query2" << endl;
-  Query<bool, int, true> q2;
-  q2.setDataFunc(cmp);
-  TEST_ASSERT(q2.Match(0));
-  TEST_ASSERT(q2.Match(1));
-  TEST_ASSERT(!q2.Match(3));
-  TEST_ASSERT(!q2.Match(4));
-  TEST_ASSERT(!q2.Match(4.0));
-}
-
-void basics2() {
-  cout << "Equality" << endl;
-  EqualityQuery<int> q2;
-  q2.setVal(3);
-  TEST_ASSERT(!q2.Match(0));
-  TEST_ASSERT(!q2.Match(1));
-  TEST_ASSERT(q2.Match(3));
-  TEST_ASSERT(!q2.Match(-3));
-
-  cout << "Greater" << endl;
-  GreaterQuery<int> q3;
-  q3.setVal(3);
-  TEST_ASSERT(q3.Match(0));
-  TEST_ASSERT(q3.Match(1));
-  TEST_ASSERT(!q3.Match(3));
-  TEST_ASSERT(!q3.Match(5));
-
-  cout << "GreaterEqual" << endl;
-  GreaterEqualQuery<int> q4(3);
-  TEST_ASSERT(q4.Match(0));
-  TEST_ASSERT(q4.Match(1));
-  TEST_ASSERT(q4.Match(3));
-  TEST_ASSERT(!q4.Match(5));
-
-  cout << "Less" << endl;
-  LessQuery<int> q5;
-  q5.setVal(3);
-  TEST_ASSERT(!q5.Match(0));
-  TEST_ASSERT(!q5.Match(1));
-  TEST_ASSERT(!q5.Match(3));
-  TEST_ASSERT(q5.Match(5));
-
-  cout << "LessEqual" << endl;
-  LessEqualQuery<int> q6(3);
-
-  TEST_ASSERT(!q6.Match(0));
-  TEST_ASSERT(!q6.Match(1));
-  TEST_ASSERT(q6.Match(3));
-  TEST_ASSERT(q6.Match(5));
-
-  cout << "Open Range" << endl;
-  RangeQuery<int> q7(0, 3);
-  TEST_ASSERT(!q7.Match(0));
-  TEST_ASSERT(q7.Match(1));
-  TEST_ASSERT(!q7.Match(3));
-  TEST_ASSERT(!q7.Match(5));
-
-  cout << "Closed Range" << endl;
-  q7.setEndsOpen(false, false);
-  TEST_ASSERT(q7.Match(0));
-  TEST_ASSERT(q7.Match(1));
-  TEST_ASSERT(q7.Match(3));
-  TEST_ASSERT(!q7.Match(5));
-}
-
 int convFunc(const char *arg) { return boost::lexical_cast<int>(arg); };

-void test7() {
-  cout << "Set2" << endl;
+TEST_CASE("testSetQueryWithDataFunc") {
  SetQuery<int, const char *, true> q;
  q.setDataFunc(convFunc);
  q.insert(1);
  q.insert(3);
  q.insert(5);

-  TEST_ASSERT(!q.Match("0"));
-  TEST_ASSERT(q.Match("1"));
-  TEST_ASSERT(q.Match("3"));
-  TEST_ASSERT(!q.Match("-3"));
+  REQUIRE(!q.Match("0"));
+  REQUIRE(q.Match("1"));
+  REQUIRE(q.Match("3"));
+  REQUIRE(!q.Match("-3"));

  Query<int, const char *, true> *newQ;
  newQ = q.copy();
-  TEST_ASSERT(!newQ->Match("0"));
-  TEST_ASSERT(newQ->Match("1"));
-  TEST_ASSERT(newQ->Match("3"));
-  TEST_ASSERT(!newQ->Match("-3"));
+  REQUIRE(!newQ->Match("0"));
+  REQUIRE(newQ->Match("1"));
+  REQUIRE(newQ->Match("3"));
+  REQUIRE(!newQ->Match("-3"));

  delete newQ;
 }
-
-int main() {
-  basics1();
-  basics2();
-
-  test1();
-  test2();
-  test3();
-  test4();
-  test5();
-  test6();
-  test7();
-}