mirror of
https://github.com/openmm/openmm
synced 2026-06-03 06:39:48 +09:00
82 lines
3.7 KiB
C++
82 lines
3.7 KiB
C++
/* -------------------------------------------------------------------------- *
|
|
* OpenMM *
|
|
* -------------------------------------------------------------------------- *
|
|
* This is part of the OpenMM molecular simulation toolkit originating from *
|
|
* Simbios, the NIH National Center for Physics-Based Simulation of *
|
|
* Biological Structures at Stanford, funded under the NIH Roadmap for *
|
|
* Medical Research, grant U54 GM072970. See https://simtk.org. *
|
|
* *
|
|
* Portions copyright (c) 2008 Stanford University and the Authors. *
|
|
* Authors: Peter Eastman *
|
|
* Contributors: *
|
|
* *
|
|
* Permission is hereby granted, free of charge, to any person obtaining a *
|
|
* copy of this software and associated documentation files (the "Software"), *
|
|
* to deal in the Software without restriction, including without limitation *
|
|
* the rights to use, copy, modify, merge, publish, distribute, sublicense, *
|
|
* and/or sell copies of the Software, and to permit persons to whom the *
|
|
* Software is furnished to do so, subject to the following conditions: *
|
|
* *
|
|
* The above copyright notice and this permission notice shall be included in *
|
|
* all copies or substantial portions of the Software. *
|
|
* *
|
|
* THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR *
|
|
* IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, *
|
|
* FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL *
|
|
* THE AUTHORS, CONTRIBUTORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, *
|
|
* DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR *
|
|
* OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE *
|
|
* USE OR OTHER DEALINGS IN THE SOFTWARE. *
|
|
* -------------------------------------------------------------------------- */
|
|
|
|
/**
|
|
* This tests the reference implementation of random number generation.
|
|
*/
|
|
|
|
#include "../../../tests/AssertionUtilities.h"
|
|
#include "../src/SimTKUtilities/SimTKOpenMMUtilities.h"
|
|
#include <iostream>
|
|
|
|
using namespace OpenMM;
|
|
using namespace std;
|
|
|
|
void testGaussian() {
|
|
mt_init(0);
|
|
const int numValues = 10000000;
|
|
double mean = 0.0;
|
|
double var = 0.0;
|
|
double skew = 0.0;
|
|
double kurtosis = 0.0;
|
|
unsigned long jran = 12399103;
|
|
for (int i = 0; i < numValues; i++) {
|
|
double value = SimTKOpenMMUtilities::getNormallyDistributedRandomNumber();
|
|
mean += value;
|
|
var += value*value;
|
|
skew += value*value*value;
|
|
kurtosis += value*value*value*value;
|
|
}
|
|
mean /= numValues;
|
|
var /= numValues;
|
|
skew /= numValues;
|
|
kurtosis /= numValues;
|
|
double c2 = var-mean*mean;
|
|
double c3 = skew-3*var*mean+2*mean*mean*mean;
|
|
double c4 = kurtosis-4*skew*mean-3*var*var+12*var*mean*mean-6*mean*mean*mean*mean;
|
|
ASSERT_EQUAL_TOL(0.0, mean, 0.01);
|
|
ASSERT_EQUAL_TOL(1.0, c2, 0.01);
|
|
ASSERT_EQUAL_TOL(0.0, c3, 0.01);
|
|
ASSERT_EQUAL_TOL(0.0, c4, 0.01);
|
|
}
|
|
|
|
int main() {
|
|
try {
|
|
testGaussian();
|
|
}
|
|
catch(const exception& e) {
|
|
cout << "exception: " << e.what() << endl;
|
|
return 1;
|
|
}
|
|
cout << "Done" << endl;
|
|
return 0;
|
|
}
|