python_packaging/sample_restraint/tests/test_binding.cpp

   1 //
   2 // Created by Eric Irrgang on 11/9/17.
   3 //
   4
   5 #include "testingconfiguration.h"
   6
   7 #include <memory>
   8 #include <vector>
   9
  10 #include "gmxapi/md/mdmodule.h"
  11
  12 #include "gromacs/restraint/restraintpotential.h"
  13
  14 #include <gtest/gtest.h>
  15
  16 namespace
  17 {
  18
  19 const auto filename = plugin::testing::sample_tprfilename;
  20
  21 class NullRestraint : public gmx::IRestraintPotential
  22 {
  23     public:
  24         gmx::PotentialPointData evaluate(gmx::Vector r1,
  25                                          gmx::Vector r2,
  26                                          double t) override
  27         {
  28             return {};
  29         }
  30
  31         std::vector<int> sites() const override
  32         {
  33             return {0,0};
  34         }
  35 };
  36
  37 class SimpleApiModule : public gmxapi::MDModule
  38 {
  39     public:
  40         const char *name() const override
  41         {
  42             return "NullApiModule";
  43         }
  44
  45         std::shared_ptr<gmx::IRestraintPotential> getRestraint() override
  46         {
  47             auto restraint = std::make_shared<NullRestraint>();
  48             return restraint;
  49         }
  50 };
  51
  52 } // end anonymous namespace