/* -------------------------------------------------------------------------- * * 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) 2019-2022 Stanford University and the Authors. * * Authors: Peter Eastman * * Contributors: * * * * This program is free software: you can redistribute it and/or modify * * it under the terms of the GNU Lesser General Public License as published * * by the Free Software Foundation, either version 3 of the License, or * * (at your option) any later version. * * * * This program is distributed in the hope that it will be useful, * * but WITHOUT ANY WARRANTY; without even the implied warranty of * * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the * * GNU Lesser General Public License for more details. * * * * You should have received a copy of the GNU Lesser General Public License * * along with this program. If not, see . * * -------------------------------------------------------------------------- */ #include "openmm/common/ComputeArray.h" #include "openmm/common/ComputeContext.h" using namespace OpenMM; ComputeArray::ComputeArray() : impl(NULL) { } ComputeArray::~ComputeArray() { if (impl != NULL) delete impl; } ArrayInterface& ComputeArray::getArray() { if (impl == NULL) throw OpenMMException("ComputeArray has not been initialized"); return *impl; } void ComputeArray::initialize(ComputeContext& context, size_t size, int elementSize, const std::string& name) { if (impl != NULL) throw OpenMMException("The array "+getName()+" has already been initialized"); impl = context.createArray(); impl->initialize(context, size, elementSize, name); } void ComputeArray::resize(size_t size) { if (impl == NULL) throw OpenMMException("ComputeArray has not been initialized"); impl->resize(size); } bool ComputeArray::isInitialized() const { return (impl != NULL); } size_t ComputeArray::getSize() const { if (impl == NULL) throw OpenMMException("ComputeArray has not been initialized"); return impl->getSize(); } int ComputeArray::getElementSize() const { if (impl == NULL) throw OpenMMException("ComputeArray has not been initialized"); return impl->getElementSize(); } const std::string& ComputeArray::getName() const { if (impl == NULL) throw OpenMMException("ComputeArray has not been initialized"); return impl->getName(); } ComputeContext& ComputeArray::getContext() { if (impl == NULL) throw OpenMMException("ComputeArray has not been initialized"); return impl->getContext(); } void ComputeArray::uploadSubArray(const void* data, int offset, int elements, bool blocking) { if (impl == NULL) throw OpenMMException("ComputeArray has not been initialized"); impl->uploadSubArray(data, offset, elements, blocking); } void ComputeArray::download(void* data, bool blocking) const { if (impl == NULL) throw OpenMMException("ComputeArray has not been initialized"); impl->download(data, blocking); } void ComputeArray::copyTo(ArrayInterface& dest) const { if (impl == NULL) throw OpenMMException("ComputeArray has not been initialized"); impl->copyTo(dest); }