コード例 #1
0
ファイル: Tree.cpp プロジェクト: JavierPalomares90/CS106B
void drawTree(double x, double y, double r, double theta, int depth) {
	if (depth < MAX_DEPTH) {
		double growth = randomReal(0.1, 0.4);
		setColor(TREE_COLORS[depth]);
		
		GPoint branchPt = drawPolarLine(x, y, r * growth, theta);
		
		int numChildren = randomInteger(2, 8);
		for (int i = 0; i < numChildren; i++) {
			double thetaPrime = theta + randomReal(-45, +45);
			drawTree(branchPt.getX(), branchPt.getY(), (1.0 - growth) * r, thetaPrime, depth + 1);
		}
	}
}
コード例 #2
0
    LearningProblemState*
    QLearner::doLearningIteration(LearningProblemState * state)
    {
        // Pick a new state once in a while
        if (randomReal() < nu) {
            state = problem->getRandomState();
        }

        // Get the list of actions
        LearningProblemAction* actions = problem->getActions(state);
        LearningProblemAction* action = NULL;

        // Check if we should use a random action, or the best one
        if (randomReal() < rho) {
            unsigned randPos = randomInt(actions->getCount());
            action = actions->getAtPositionInList(randPos);
        } else {
            action = getBestAction(state);
        }

        // Make sure we've got something to do
        if (action != NULL)
        {
            // Carry out the action
            LearningProblemActionResult result =
                problem->getResult(state, action);

            // Get the current q value
            real q = getQValue(state, action);

            // Get the q of the best action from the new state
            real maxQ = getBestQValue(result.state);

            // recalculate the q
            q = ((real)1.0-alpha) * q + alpha * (result.reward + gamma * maxQ);

            // Store the new Q value
            storeQValue(state, action, q);

            return result.state;
        }
        // Otherwise we need to get a new state - we've reached the
        // end of the road.
        else
        {
            return problem->getRandomState();
        }
    }
コード例 #3
0
ファイル: TileManager.cpp プロジェクト: Dewcs/Zurvival
SDL_Texture* TileManager::getVert(int left, int right, SDL_Renderer *renderer) {
	if (left < 0 || left >= vert.size() || right < 0 || right >= vert.size()) log(1, "ERROR VERT %d %d",left,right);
	if (left == right) return tiles[left].tex; // same texture
	if (vert[left][right] == NULL) {
		// merged texture
		SDL_Surface *tmp;
		Uint8 *l, *r;
		l = (Uint8 *)tiles[left].sur->pixels;
		r = (Uint8 *)tiles[right].sur->pixels;
		int width = 128;
		int height = 128;
		tmp = SDL_CreateRGBSurface(0, width, height, 32, 0x000000ff, 0x0000ff00, 0x00ff0000, 0xff000000);
		Uint32 *pixels = (Uint32 *)tmp->pixels;
		for (int x = 0; x < width; ++x) {
			for (int y = 0; y < height; ++y) {
				// use random with chances equaling the cube of the distance
				double rnd = randomReal(0, 1);
				double p1, p2;
				p1 = 1.0 / ((128 - x)*(128 - x)*(128 - x));
				p2 = 1.0 / ((x + 1)*(x + 1)*(x + 1));
				if (p1 / (p1 + p2) <= rnd) pixels[(y * tmp->w) + x] = 0xff000000 | l[3 * ((y * tmp->w) + x)] | l[3 * ((y * tmp->w) + x) + 1] << 8 | l[3 * ((y * tmp->w) + x) + 2] << 16;
				else pixels[(y * tmp->w) + x] = 0xff000000 | r[3 * ((y * tmp->w) + x)] | r[3 * ((y * tmp->w) + x) + 1] << 8 | r[3 * ((y * tmp->w) + x) + 2] << 16;
			}
		}
		SDL_Texture *tmptex = SDL_CreateTextureFromSurface(renderer, tmp);
		SDL_FreeSurface(tmp);
		vert[left][right] = tmptex;
	}
	return vert[left][right];
}
コード例 #4
0
void GeneticPopulation::crossover(
	const Weights& parent1,
	const Weights& parent2,
	Weights& child1,
	Weights& child2) const {

	assert(parent1.size() == parent2.size());

	if (randomReal(0, 1) > crossoverRate || parent1 == parent2) {
		child1 = parent1;
		child2 = parent2;
		return;
	}

	unsigned crossoverPoint = static_cast<unsigned>(randomInt(0, parent1.size()));

	child1.clear();
	child2.clear();

	//create the offspring
	for (unsigned i = 0; i < crossoverPoint; ++i) {
		child1.push_back(parent1[i]);
		child2.push_back(parent2[i]);
	}

	for (unsigned i = crossoverPoint; i < parent1.size(); ++i) {
		child1.push_back(parent2[i]);
		child2.push_back(parent1[i]);
	}
}
コード例 #5
0
ファイル: random.c プロジェクト: stepp/stanford-cpp-library
static bool randomRealSeemsReasonable(double low, double high) {
   int i, counts[N_RANGES];
   double d, range, expected;
   bool ok;

   range = high - low;
   for (i = 0; i < N_RANGES; i++) {
      counts[i] = 0;
   }
   ok = true;
   for (i = 0; ok && i < N_TRIALS; i++) {
      d = randomReal(low, high);
      if (d < low || d >= high) {
         reportError("RandomReal returned out of range value %g", d);
         ok = false;
      } else {
         counts[(int)(N_RANGES * (d - low) / range)]++;
      }
   }
   expected = (double) N_TRIALS / N_RANGES;
   for (i = 0; ok && i < N_RANGES; i++) {
      if (counts[i] < 0.5 * expected) {
         reportError("Low count for outcome %d", i);
         ok = false;
      } else if (counts[i] > 1.5 * expected) {
         reportError("High count for outcome %d", i);
         ok = false;
      }
   }
   return ok;
}
コード例 #6
0
ファイル: TileManager.cpp プロジェクト: Dewcs/Zurvival
SDL_Texture* TileManager::getHori(int top, int bot, SDL_Renderer *renderer) {
	if (top < 0 || top >= vert.size() || bot < 0 || bot >= vert.size()) log(1, "ERROR HORI %d %d",top,bot);
	if (top == bot) return tiles[top].tex;
	if (hori[top][bot] == NULL) {
		SDL_Surface *tmp;
		Uint8 *l, *r;
		l = (Uint8 *)tiles[top].sur->pixels;
		r = (Uint8 *)tiles[bot].sur->pixels;
		int width = 128;
		int height = 128;
		tmp = SDL_CreateRGBSurface(0, width, height, 32, 0x000000ff, 0x0000ff00, 0x00ff0000, 0xff000000);
		Uint32 *pixels = (Uint32 *)tmp->pixels;
		for (int x = 0; x < width; ++x) {
			for (int y = 0; y < height; ++y) {
				// use random with chances equaling the cube of the distance
				double rnd = randomReal(0, 1);
				double p1, p2;
				p1 = 1.0 / ((128 - y)*(128 - y)*(128 - y));
				p2 = 1.0 / ((y + 1)*(y + 1)*(y + 1));
				if (p1/(p1+p2)<=rnd) pixels[(y * tmp->w) + x] = 0xff000000 | l[3 * ((y * tmp->w) + x)] | l[3 * ((y * tmp->w) + x) + 1] << 8 | l[3 * ((y * tmp->w) + x) + 2] << 16;
				else pixels[(y * tmp->w) + x] = 0xff000000 | r[3 * ((y * tmp->w) + x)] | r[3 * ((y * tmp->w) + x) + 1] << 8 | r[3 * ((y * tmp->w) + x) + 2] << 16;
			}
		}
		SDL_Texture *tmptex = SDL_CreateTextureFromSurface(renderer, tmp);
		SDL_FreeSurface(tmp);
		hori[top][bot] = tmptex;
	}
	return hori[top][bot];
}
コード例 #7
0
ファイル: Box.cpp プロジェクト: sethau/MCGPU
int Box::changeMolecule(int molIdx)
{
	Real maxTranslation = environment->maxTranslation;
	Real maxRotation = environment->maxRotation;
		
	saveChangedMol(molIdx);
		
	//Pick an atom in the molecule about which to rotate
	int atomIndex = randomReal(0, molecules[molIdx].numOfAtoms);
	Atom vertex = molecules[molIdx].atoms[atomIndex];

	const Real deltaX = randomReal(-maxTranslation, maxTranslation);
	const Real deltaY = randomReal(-maxTranslation, maxTranslation);
	const Real deltaZ = randomReal(-maxTranslation, maxTranslation);

	const Real degreesX = randomReal(-maxRotation, maxRotation);
	const Real degreesY = randomReal(-maxRotation, maxRotation);
	const Real degreesZ = randomReal(-maxRotation, maxRotation); 

	moveMolecule(molecules[molIdx], vertex, deltaX, deltaY, deltaZ,
		degreesX, degreesY, degreesZ);

	keepMoleculeInBox(molIdx);

	return molIdx;
}
コード例 #8
0
GeneticPopulation::GeneticPopulation(unsigned populationSize, unsigned numberOfWeights) {
	for (unsigned i = 0; i < populationSize; ++i) {
		Weights weights(numberOfWeights);
		for (Weight& weight : weights) {
			weight = randomReal(-1, 1);
		}
		population.push_back(Genome(weights));
	}
}
コード例 #9
0
bool SimCalcs::acceptMove(Real oldEnergy, Real newEnergy) {
    // Always accept decrease in energy
    if (newEnergy < oldEnergy) {
      return true;
    }

    // Otherwise use random number to determine weather to accept
    return exp(-(newEnergy - oldEnergy) / sb->kT) >=
        randomReal(0.0, 1.0);
}
コード例 #10
0
Genome GeneticPopulation::pickRoulette() const {
	float slice = randomReal(0, totalFitness);

	float fitnessSoFar = 0;

	for (const Genome& genome : population) {
		fitnessSoFar += genome.fitness;
		if (genome.fitness >= slice) {
			return genome;
		}
	}
	//we shouldn't ever get here (only if rounding error occurs)
	return population.back();
}
コード例 #11
0
ファイル: TileManager.cpp プロジェクト: Dewcs/Zurvival
SDL_Texture* TileManager::getAll(int id0, int id1, int id2, int id3, SDL_Renderer *renderer) {
	if (id0 < 0 || id0 >= vert.size() || id1 < 0 || id1 >= vert.size() || id2 < 0 || id2 >= vert.size() || id3 < 0 || id3 >= vert.size()) log(1, "ERROR HORI %d %d %d %d", id0,id1,id2,id3);
	if (id0==id1 && id1==id2 && id2==id3) return tiles[id0].tex;
	if (all[id0][id1][id2][id3] == NULL) {
		SDL_Surface *tmp;
		Uint8 *l, *r, *t, *b;
		t = (Uint8 *)tiles[id0].sur->pixels;
		r = (Uint8 *)tiles[id1].sur->pixels;
		b = (Uint8 *)tiles[id2].sur->pixels;
		l = (Uint8 *)tiles[id3].sur->pixels;
		int width = 128;
		int height = 128;
		tmp = SDL_CreateRGBSurface(0, width, height, 32, 0x000000ff, 0x0000ff00, 0x00ff0000, 0xff000000);
		Uint32 *pixels = (Uint32 *)tmp->pixels;
		for (int x = 0; x < width; ++x) {
			for (int y = 0; y < height; ++y) {
				// use random with chances equaling the cube of the distance
				double rnd = randomReal(0, 1);
				double p1, p2;
				p1 = 1.0 / ((128 - y)*(128 - y)*(128 - y));
				p2 = 1.0 / ((y + 1)*(y + 1)*(y + 1));
				if (p1 / (p1 + p2) <= rnd) {
					p1 = 1.0 / ((128 - x)*(128 - x)*(128 - x));
					p2 = 1.0 / ((x + 1)*(x + 1)*(x + 1));
					if (p1 / (p1 + p2) <= rnd) {
						pixels[(y * tmp->w) + x] = 0xff000000 | t[3 * ((y * tmp->w) + x)] | t[3 * ((y * tmp->w) + x) + 1] << 8 | t[3 * ((y * tmp->w) + x) + 2] << 16;
					}
					else {
						pixels[(y * tmp->w) + x] = 0xff000000 | r[3 * ((y * tmp->w) + x)] | r[3 * ((y * tmp->w) + x) + 1] << 8 | r[3 * ((y * tmp->w) + x) + 2] << 16;
					}
				}
				else {
					p1 = 1.0 / ((128 - x)*(128 - x)*(128 - x));
					p2 = 1.0 / ((x + 1)*(x + 1)*(x + 1));
					if (p1 / (p1 + p2) <= rnd) {
						pixels[(y * tmp->w) + x] = 0xff000000 | l[3 * ((y * tmp->w) + x)] | l[3 * ((y * tmp->w) + x) + 1] << 8 | l[3 * ((y * tmp->w) + x) + 2] << 16;
					}
					else {
						pixels[(y * tmp->w) + x] = 0xff000000 | b[3 * ((y * tmp->w) + x)] | b[3 * ((y * tmp->w) + x) + 1] << 8 | b[3 * ((y * tmp->w) + x) + 2] << 16;
					}
				}
			}
		}
		SDL_Texture *tmptex = SDL_CreateTextureFromSurface(renderer, tmp);
		SDL_FreeSurface(tmp);
		all[id0][id1][id2][id3] = tmptex;
	}
	return all[id0][id1][id2][id3];
}
コード例 #12
0
void SimCalcs::intermolecularMove(int molIdx) {
  Real maxT = sb->maxTranslate;
  Real maxR = sb->maxRotate;

  int molStart = sb->moleculeData[MOL_START][molIdx];
  int molLen = sb->moleculeData[MOL_LEN][molIdx];

  int vertexIdx = (int)randomReal(0, molLen);

  const Real deltaX = randomReal(-maxT, maxT);
  const Real deltaY = randomReal(-maxT, maxT);
  const Real deltaZ = randomReal(-maxT, maxT);

  const Real rotX = randomReal(-maxR, maxR);
  const Real rotY = randomReal(-maxR, maxR);
  const Real rotZ = randomReal(-maxR, maxR);

  Real** rBCoords = GPUCopy::rollBackCoordinatesPtr();
  Real** aCoords = GPUCopy::atomCoordinatesPtr();
  Real* bSize = GPUCopy::sizePtr();
  int* pIdxes = GPUCopy::primaryIndexesPtr();
  int** molData = GPUCopy::moleculeDataPtr();


  // Do the move here
  #pragma acc parallel loop deviceptr(aCoords, rBCoords) \
      if (on_gpu)
  for (int i = 0; i < molLen; i++) {
    for (int j = 0; j < NUM_DIMENSIONS; j++) {
      rBCoords[j][i] = aCoords[j][molStart + i];
    }
    if (i == vertexIdx)
      continue;
    rotateAtom(molStart + i, molStart + vertexIdx, rotX, rotY, rotZ, aCoords);
    translateAtom(molStart + i, deltaX, deltaY, deltaZ, aCoords);
  }


  #pragma acc parallel loop deviceptr(aCoords, molData, pIdxes, bSize) \
      if (on_gpu)
  for (int i = 0; i < 1; i++) {
    aCoords[0][molStart + vertexIdx] += deltaX;
    aCoords[1][molStart + vertexIdx] += deltaY;
    aCoords[2][molStart + vertexIdx] += deltaZ;
    keepMoleculeInBox(molIdx, aCoords, molData, pIdxes, bSize);
  }
}
コード例 #13
0
ファイル: core.cpp プロジェクト: AdamFarhat/aicore
 real randomBinomial(real max)
 {
    return randomReal(max)-randomReal(max);
 }
コード例 #14
0
ファイル: Box.cpp プロジェクト: sethau/MCGPU
int Box::chooseMolecule()
{
	return (int) randomReal(0, environment->numOfMolecules);
}
コード例 #15
0
ファイル: ParticleEmitter.cpp プロジェクト: cpzhang/zen
void ParticleEmitter::spawn(float delta, const AnimationTime& at, ParticleList& ps, const Matrix& m)
{
	if (!mVisibility.getFrame(at.current))
	{
		return;
	}
	//换算成秒
	float timeFactor = delta / 1000.0f;
	mCurrentEmission += mEmitRate.getFrame(at) * timeFactor;
	while(mCurrentEmission >= 1.0f)
	{
		if (ps.size() >= mLimitNumber /*|| !ps.empty()*/)
		{
			return;
		}
		Particle p;
		p.mEmitter = this;
		float		speed;
		float		width;
		float		length;
		float		height;
		float		latitude;
		float		variation;

		p.mVertices[0].texture_.x = 0;
		p.mVertices[0].texture_.y = 0;

		p.mVertices[1].texture_.x = 0;
		p.mVertices[1].texture_.y = 1;

		p.mVertices[2].texture_.x = 1;
		p.mVertices[2].texture_.y = 1;

		p.mVertices[3].texture_.x = 1;
		p.mVertices[3].texture_.y = 0;

		p.mStopMove = false;

		p.mColorStart = mColorStart;
		p.mColorMiddle = mColorMiddle;
		p.mColorEnd = mColorEnd;
		p.mAlpha = mAlpha;
		speed = mSpeedKFs.getFrame(at);
		width = mWidth.getFrame(at);
		length = mLength.getFrame(at);
		height = mHeigth.getFrame(at);
		latitude = mLatitude.getFrame(at);
		variation = mVariationKFs.getFrame(at);
		speed *= (1.0f + randomReal(0.0f, variation));

		p.mPosition = Vector3(randomReal(-width,width), randomReal(-height,height), randomReal(-length,length));
		p.mPosition = m.applyVector(p.mPosition);
		p.mOriginalPosition = p.mPosition;
		p.mNodeOriginalPosition = m.applyToOrigin();
		Matrix mtxX;
		{
			Quaternion q;
			q.fromAngleAxis(randomReal(0,latitude * TwoPI / 360.f), Vector3::AxisX);
			mtxX.make(Vector3::Zero, Vector3::One, q);
		}
		
		Matrix mtxY;
		{
			Quaternion q;
			q.fromAngleAxis(randomReal(0,TwoPI), Vector3::AxisY);
			mtxY.make(Vector3::Zero, Vector3::One, q);
		}
		Matrix rot;
		rot.multiply(mtxX, mtxY);
		p.mVelocity = rot.applyVector(Vector3(0,1,0));
		p.mVelocity.normalise();
		p.mVelocity = m.applyVectorNormal(p.mVelocity);

		p.mVelocity *= speed;

		p.mAge = 0.0f;
		if(mLifeSpan < mLifeVar)
			p.mLife = mLifeSpan;
		else
			p.mLife= randomReal(mLifeSpan - mLifeVar, mLifeSpan + mLifeVar);

		p.mGravity = mGravity.getFrame(at);
		p.mExplosiveForce = mExplosiveForce.getFrame(at);

		//每个粒子的缩放比例都可能不同
		p.mScale.x = randomReal(mScale.x - mScaleVar.x, mScale.x + mScaleVar.x);
		if(mFixedSize)
		{
			p.mScale.y = p.mScale.z = p.mScale.x;
		}
		else
		{
			p.mScale.y = randomReal(mScale.y - mScaleVar.y, mScale.y + mScaleVar.y);
			p.mScale.z = randomReal(mScale.z - mScaleVar.z, mScale.z + mScaleVar.z);
		}

		//粒子旋转的角度
		p.mAngle = randomReal(mInitAngleBegin, mInitAngleEnd);
		p.mRotateSpeed = randomReal(mRotateSpeed - mRotateSpeedVar, mRotateSpeed + mRotateSpeedVar) * timeFactor * 15.0f;

		if(mHead)
		{
			p.mHeadFramesNum = ((mHeadLifeSpan.y - mHeadLifeSpan.x + 1.0f) * mHeadLifeSpan.z);
			p.mHeadDecalFramesNum = ((mHeadDecay.y - mHeadDecay.x + 1.0f) * mHeadDecay.z);
		}
		else
		{
			p.mHeadFramesNum = 0;
			p.mHeadDecalFramesNum = 0;
		}

		if(mTail)
		{
			p.mTailFramesNum = ((mTailLifeSpan.y - mTailLifeSpan.x + 1.0f) * mTailLifeSpan.z);
			p.mTailDecalFramesNum = ((mTailDecay.y - mTailDecay.x + 1.0f) * mTailDecay.z);
		}
		else
		{
			p.mTailFramesNum = 0;
			p.mTailDecalFramesNum = 0;
		}

		if(mWander)
		{
			p.mWanderRadius = mWanderRadius;
			p.mWanderSpeed = mWanderSpeed;
			p.mWander = true;
			p.mWanderS = 0.0f;
			Matrix m1,m2;
			for(int i = 0;i < 4;i++)
			{
				{
					Quaternion q;
					q.fromAngleAxis(randomReal(0,TwoPI), Vector3::AxisX);
					m1.make(Vector3::Zero, Vector3::One, q);
				}
				{
					Quaternion q;
					q.fromAngleAxis(randomReal(0,TwoPI), Vector3::AxisY);
					m2.make(Vector3::Zero, Vector3::One, q);
				}
				Matrix mt;
				mt.multiply(m1, m2);
				p.mWanderCatmullRom[i] = mWanderRadius * (mt.applyVector(Vector3::AxisZ));
			}
		}
		//
		ps.push_back(p);
		//
		mCurrentEmission -= 1.0f;
	}
}
コード例 #16
0
ファイル: randomutil.cpp プロジェクト: vos/planetattack
qreal RandomUtil::randomReal(qreal min, qreal max)
{
    return min + (randomReal() * (max - min));
}
コード例 #17
0
void SimCalcs::intramolecularMove(int molIdx) {
  // Save the molecule data for rolling back
  // TODO (blm): Put these in the GPU with GPUCopy
  saveBonds(molIdx);
  saveAngles(molIdx);
  // Max with one to avoid divide by zero if no intra moves
  int numMoveTypes = max(ENABLE_BOND + ENABLE_ANGLE + ENABLE_DIHEDRAL, 1);
  Real intraScaleFactor = 0.25 + (0.75 / (Real)(numMoveTypes));
  Real scaleFactor;
  std::set<int> indexes;

  Real newEnergy = 0, currentEnergy = calcIntraMolecularEnergy(molIdx);

  // TODO (blm): allow max to be configurable
  int numBonds = sb->moleculeData[MOL_BOND_COUNT][molIdx];
  int bondStart = sb->moleculeData[MOL_BOND_START][molIdx];
  int numAngles = sb->moleculeData[MOL_ANGLE_COUNT][molIdx];
  int angleStart = sb->moleculeData[MOL_ANGLE_START][molIdx];
  Real bondDelta = sb->maxBondDelta, angleDelta = sb->maxAngleDelta;

  // Handle bond moves
  if (ENABLE_BOND && sb->hasFlexibleBonds) {
    int numBondsToMove = sb->moleculeData[MOL_BOND_COUNT][molIdx];
    if (numBondsToMove > 3) {
      numBondsToMove = (int)randomReal(2, numBonds);
      numBondsToMove = min(numBondsToMove, sb->maxIntraMoves);
    }
    scaleFactor = 0.25 + (0.75 / (Real)numBondsToMove) * intraScaleFactor;
    sb->numBondMoves += numBondsToMove;

    // Select the indexes of the bonds to move
    while (indexes.size() < numBondsToMove) {
      indexes.insert((int)randomReal(0, numBonds));
    }

    // Move each bond
    for (auto bondIdx = indexes.begin(); bondIdx != indexes.end(); bondIdx++) {
      Real stretchDist = scaleFactor * randomReal(-bondDelta, bondDelta);
      if (sb->bondData[BOND_VARIABLE][bondStart + *bondIdx]) {
        stretchBond(molIdx, *bondIdx, stretchDist);
      }
    }
    // Do an MC test for delta tuning
    // Note: Failing does NOT mean we rollback
    newEnergy = calcIntraMolecularEnergy(molIdx);
    if (SimCalcs::acceptMove(currentEnergy, newEnergy)) {
      sb->numAcceptedBondMoves += numBondsToMove;
    }
    currentEnergy = newEnergy;
    indexes.clear();
  }

  // Handle angle movements
  if (ENABLE_ANGLE && sb->hasFlexibleAngles) {
    int numAnglesToMove = sb->moleculeData[MOL_ANGLE_COUNT][molIdx];
    if (numAnglesToMove > 3) {
      numAnglesToMove = (int)randomReal(2, numAngles);
      numAnglesToMove = min(numAnglesToMove, sb->maxIntraMoves);
    }
    scaleFactor = 0.25 + (0.75 / (Real)numAnglesToMove) * intraScaleFactor;
    sb->numAngleMoves += numAnglesToMove;

    // Select the indexes of the bonds to move
    while (indexes.size() < numAnglesToMove) {
      indexes.insert((int)randomReal(0, numAngles));
    }

    // Move each angle
    for (auto angle = indexes.begin(); angle != indexes.end(); angle++) {
      Real expandDist = scaleFactor * randomReal(-angleDelta, angleDelta);
      if (sb->angleData[ANGLE_VARIABLE][angleStart + *angle]) {
        expandAngle(molIdx, *angle, expandDist);
      }
    }
    // Do an MC test for delta tuning
    // Note: Failing does NOT mean we rollback
    newEnergy = calcIntraMolecularEnergy(molIdx);
    if (SimCalcs::acceptMove(currentEnergy, newEnergy)) {
      sb->numAcceptedAngleMoves += numAnglesToMove;
    }
    currentEnergy = newEnergy;
    indexes.clear();
  }

  // TODO: Put dihedral movements here

  // Tune the deltas to acheive 40% intramolecular acceptance ratio
  // FIXME: Make interval configurable
  if (ENABLE_TUNING && sb->stepNum != 0 && (sb->stepNum % 1000) == 0) {
    Real bondRatio = (Real)sb->numAcceptedBondMoves / sb->numBondMoves;
    Real angleRatio = (Real)sb->numAcceptedAngleMoves / sb->numAngleMoves;
    Real diff;

    diff = bondRatio - TARGET_RATIO;
    if (fabs(diff) > RATIO_MARGIN) {
      sb->maxBondDelta += sb->maxBondDelta * diff;
    }
    diff = angleRatio - TARGET_RATIO;
    if (fabs(angleDelta) > RATIO_MARGIN) {
      sb->maxAngleDelta += sb->maxAngleDelta * diff;
    }

    // Reset the ratio values
    sb->numAcceptedBondMoves = 0;
    sb->numBondMoves = 0;
    sb->numAcceptedAngleMoves = 0;
    sb->numAngleMoves = 0;
  }
}
コード例 #18
0
/** Returns the index of a random molecule within the simulation box */
int SimulationStep::chooseMolecule(SimBox *box) {
  return (int) randomReal(0, box->numMolecules);
}
コード例 #19
0
ファイル: random.c プロジェクト: stepp/stanford-cpp-library
bool randomChance(double p) {
   initRandomSeed();
   return randomReal(0, 1) < p;
}
コード例 #20
0
/**
 * Returns a random position within the radius
 */
double randInSquare(int radius) {
  double r = randomReal() * radius * 2;
  return (r > radius ? r - radius : r);
}