SymmetryTest: report worst case only

Tests/Unit/Numeric/FormFactorSpecializationTest.cpp

@@ -12,9 +12,8 @@ protected:
     void run_test(IFormFactor* p0, IFormFactor* p1, double eps, double qmag1, double qmag2)
     {
         int failures = formfactorTest::run_test2_for_many_q(
-                        [&](C3 q, bool report) -> double {
-                            return test_ff_eq(q, p0, p1, eps, report); }, qmag1,
-                        qmag2, eps);
+            [&](C3 q, bool report) -> double { return test_ff_eq(q, p0, p1, eps, report); }, qmag1,
+            qmag2, eps);
         EXPECT_EQ(failures, 0);
     }
 
@@ -28,12 +27,12 @@ private:
         const double result = abserr / avge * std::min(1., eps * avge / 1e-16);
         if (report) {
             std::cout << "Deviation at q = " << q << ":\n";
-            std::cout << "  Re(f0) = " << std::setprecision(16)
-                      << real(f0) << ", Im(f0) = " << imag(f0) << "\n";
+            std::cout << "  Re(f0) = " << std::setprecision(16) << real(f0)
+                      << ", Im(f0) = " << imag(f0) << "\n";
             std::cout << "  Re(f1) = " << real(f1) << ", Im(f1) = " << imag(f1) << "\n";
-            std::cout << "  abs dev = " << std::setprecision(8)
-                      << abserr << ", rel dev = " << abserr / avge
-                      << ", score = " << result << ", limit = " << eps << "\n";
+            std::cout << "  abs dev = " << std::setprecision(8) << abserr
+                      << ", rel dev = " << abserr / avge << ", score = " << result
+                      << ", limit = " << eps << "\n";
         }
         return result;
     }

Tests/Unit/Numeric/FormFactorSymmetryTest.cpp

@@ -8,15 +8,17 @@
 
 class FFSymmetryTest : public testing::Test {
 protected:
-    void run_test(IFormFactor* ff, std::function<C3(const C3&)> trafo,
-                  double eps, double qmag1, double qmag2)
+    void run_test(IFormFactor* ff, std::function<C3(const C3&)> trafo, double eps, double qmag1,
+                  double qmag2)
     {
-        formfactorTest::run_test_for_many_q([&](C3 q) { test_qq_eq(ff, q, trafo(q), eps); }, qmag1,
-                                            qmag2);
+        int failures = formfactorTest::run_test2_for_many_q(
+            [&](C3 q, bool report) -> double { return test_qq_eq(ff, q, trafo(q), eps, report); },
+            qmag1, qmag2, eps);
+        EXPECT_EQ(failures, 0);
     }
 
 private:
-    void test_qq_eq(IFormFactor* ff, C3 q, C3 p, double eps)
+    double test_qq_eq(IFormFactor* ff, C3 q, C3 p, double eps, bool report)
     {
         complex_t f0 = ff->formfactor(q);
 #ifdef ALGORITHM_DIAGNOSTIC
@@ -24,21 +26,19 @@ private:
 #endif
         const complex_t f1 = ff->formfactor(p);
         const double avge = (std::abs(f0) + std::abs(f1)) / 2;
-        const double precision = std::max(1e-16, eps * avge);
-        EXPECT_NEAR(real(f0), real(f1), precision)
-            << "q=" << q << ", p=" << p
-#ifdef ALGORITHM_DIAGNOSTIC
-            << "\n msg(q): " << msg0 << "\n"
-            << "\n msg(p): " << polyhedralDiagnosis.message() << "\n"
-#endif
-            ;
-        EXPECT_NEAR(imag(f0), imag(f1), precision)
-            << "q=" << q << ", p=" << p
-#ifdef ALGORITHM_DIAGNOSTIC
-            << "\n msg(q): " << msg0 << "\n"
-            << "\n msg(p): " << polyhedralDiagnosis.message() << "\n"
-#endif
-            ;
+        const double abserr = std::max(fabs(real(f0) - real(f1)), fabs(imag(f0) - imag(f1)));
+        const double result = abserr / avge * std::min(1., eps * avge / 1e-16);
+        if (report) {
+            std::cout << "Deviation of q0 = " << q << "\n";
+            std::cout << "         and q1 = " << p << ":\n";
+            std::cout << "  Re(f0) = " << std::setprecision(16) << real(f0)
+                      << ", Im(f0) = " << imag(f0) << "\n";
+            std::cout << "  Re(f1) = " << real(f1) << ", Im(f1) = " << imag(f1) << "\n";
+            std::cout << "  abs dev = " << std::setprecision(8) << abserr
+                      << ", rel dev = " << abserr / avge << ", score = " << result
+                      << ", limit = " << eps << "\n";
+        }
+        return result;
     }
 };
 
@@ -99,7 +99,7 @@ TEST_F(FFSymmetryTest, TruncatedSphere)
 {
     TruncatedSphere ff(.79, .34, 0);
     run_test(
-        &ff, [](const C3& q) -> C3 { return q.rotatedZ(M_PI / 3.13698); }, 1e-12, 1e-99, 2e2);
+        &ff, [](const C3& q) -> C3 { return q.rotatedZ(M_PI / 3.13698); }, 2e-13, 1e-99, 2e2);
 }
 
 TEST_F(FFSymmetryTest, Spheroid)