EXPECT_EQ(-1, topInfo.ePBC());
EXPECT_THROW(topInfo.x().size(), gmx::APIError);
EXPECT_THROW(topInfo.v().size(), gmx::APIError);
- matrix box {{
- -2
- }};
+ matrix box{ { -2 } };
topInfo.getBox(box);
EXPECT_EQ(0, box[XX][XX]);
EXPECT_EQ(0, box[XX][YY]);
}
//! Common test code to reduce duplication
-void runCommonTests(const TopologyInformation &topInfo, const int numAtoms)
+void runCommonTests(const TopologyInformation& topInfo, const int numAtoms)
{
EXPECT_TRUE(topInfo.hasTopology());
ASSERT_TRUE(topInfo.mtop());
EXPECT_NE(atoms2.get(), atoms);
EXPECT_EQ(numAtoms, topInfo.x().size());
EXPECT_EQ(numAtoms, topInfo.v().size());
- matrix box {{
- -2
- }};
+ matrix box{ { -2 } };
topInfo.getBox(box);
EXPECT_FLOAT_EQ(5.9062, box[XX][XX]);
- EXPECT_FLOAT_EQ(0, box[XX][YY]);
- EXPECT_FLOAT_EQ(0, box[XX][ZZ]);
- EXPECT_FLOAT_EQ(0, box[YY][XX]);
+ EXPECT_FLOAT_EQ(0, box[XX][YY]);
+ EXPECT_FLOAT_EQ(0, box[XX][ZZ]);
+ EXPECT_FLOAT_EQ(0, box[YY][XX]);
EXPECT_FLOAT_EQ(6.8451, box[YY][YY]);
- EXPECT_FLOAT_EQ(0, box[YY][ZZ]);
- EXPECT_FLOAT_EQ(0, box[ZZ][XX]);
- EXPECT_FLOAT_EQ(0, box[ZZ][YY]);
+ EXPECT_FLOAT_EQ(0, box[YY][ZZ]);
+ EXPECT_FLOAT_EQ(0, box[ZZ][XX]);
+ EXPECT_FLOAT_EQ(0, box[ZZ][YY]);
EXPECT_FLOAT_EQ(3.0517, box[ZZ][ZZ]);
EXPECT_STREQ("First 10 residues from 1AKI", topInfo.name());
}