|
mcpele
1.0.0
The Monte Carlo Python Energy Landscape Explorer
|
#include <energy_window_test.h>
Public Member Functions | |
| EnergyWindowTest (const double min_energy, const double max_energy) | |
| virtual | ~EnergyWindowTest () |
| virtual bool | test (pele::Array< double > &trial_coords, double trial_energy, pele::Array< double > &old_coords, double old_energy, double temperature, MC *mc) |
Protected Attributes | |
| double | m_min_energy |
| double | m_max_energy |
Energy window test This test checks that the energy of the system stays within a certain energy window
Definition at line 14 of file energy_window_test.h.
| mcpele::EnergyWindowTest::EnergyWindowTest | ( | const double | min_energy, |
| const double | max_energy | ||
| ) |
Definition at line 9 of file energy_window_test.cpp.
| virtual mcpele::EnergyWindowTest::~EnergyWindowTest | ( | ) | [inline, virtual] |
Definition at line 20 of file energy_window_test.h.
| bool mcpele::EnergyWindowTest::test | ( | pele::Array< double > & | trial_coords, |
| double | trial_energy, | ||
| pele::Array< double > & | old_coords, | ||
| double | old_energy, | ||
| double | temperature, | ||
| MC * | mc | ||
| ) | [virtual] |
Implements mcpele::AcceptTest.
Definition at line 14 of file energy_window_test.cpp.
double mcpele::EnergyWindowTest::m_max_energy [protected] |
Definition at line 17 of file energy_window_test.h.
double mcpele::EnergyWindowTest::m_min_energy [protected] |
Definition at line 16 of file energy_window_test.h.
1.7.6.1