Scine::Swoose  2.1.0
This is the SCINE module Swoose.
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Scine::Tests::AGaffMolecularMechanicsTest Class Reference

Tests concerning the GAFF molecular mechanics method in SCINE. More...

#include <GaffMolecularMechanicsTest.cpp>

Inheritance diagram for Scine::Tests::AGaffMolecularMechanicsTest:
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Collaboration diagram for Scine::Tests::AGaffMolecularMechanicsTest:
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Public Member Functions

void SetUp () override
 
void TearDown () override
 

Public Attributes

GaffMolecularMechanicsCalculator calculator
 
std::string atomicChargesFile = "atomic_charges_for_gaff_test.dat"
 
Core::Log silentLogger = Core::Log::silent()
 

Detailed Description

Tests concerning the GAFF molecular mechanics method in SCINE.

The documentation for this class was generated from the following file: