void writeReferenceFile()
{
- write_sto_conf(referenceFilename_.c_str(), *refTop_->name, &refTop_->atoms,
- as_rvec_array(refX_.data()), nullptr, PbcType::Unset, refBox_);
+ write_sto_conf(referenceFilename_.c_str(),
+ *refTop_->name,
+ &refTop_->atoms,
+ as_rvec_array(refX_.data()),
+ nullptr,
+ PbcType::Unset,
+ refBox_);
}
void readReferenceFileTps()
void writeTestFileAndTest()
{
- write_sto_conf(testFilename_.c_str(), *testTop_->name, &testTop_->atoms, testX_, nullptr,
- PbcType::Unset, testBox_);
+ write_sto_conf(
+ testFilename_.c_str(), *testTop_->name, &testTop_->atoms, testX_, nullptr, PbcType::Unset, testBox_);
testFilesEqual(referenceFilename_, testFilename_);
}