vector<string> tempOutNames;
outputTypes["pcoa"] = tempOutNames;
outputTypes["loadings"] = tempOutNames;
- outputTypes["corr"] = tempOutNames;
}
catch(exception& e) {
m->errorOut(e, "PCOACommand", "PCOACommand");
vector<string> tempOutNames;
outputTypes["pcoa"] = tempOutNames;
outputTypes["loadings"] = tempOutNames;
- outputTypes["corr"] = tempOutNames;
//required parameters
phylipfile = validParameter.validFile(parameters, "phylip", true);
vector<double> e;
vector<vector<double> > G = D;
vector<vector<double> > copy_G;
- //int rank = D.size();
-
+
m->mothurOut("\nProcessing...\n\n");
for(int count=0;count<2;count++){
- recenter(offset, D, G); if (m->control_pressed) { return 0; }
- tred2(G, d, e); if (m->control_pressed) { return 0; }
- qtli(d, e, G); if (m->control_pressed) { return 0; }
+ recenter(offset, D, G); if (m->control_pressed) { return 0; }
+ linearCalc.tred2(G, d, e); if (m->control_pressed) { return 0; }
+ linearCalc.qtli(d, e, G); if (m->control_pressed) { return 0; }
offset = d[d.size()-1];
if(offset > 0.0) break;
}
for (int i = 1; i < 4; i++) {
- vector< vector<double> > EuclidDists = calculateEuclidianDistance(G, i); //G is the pcoa file
+ vector< vector<double> > EuclidDists = linearCalc.calculateEuclidianDistance(G, i); //G is the pcoa file
if (m->control_pressed) { for (int i = 0; i < outputNames.size(); i++) { remove(outputNames[i].c_str()); } return 0; }
- double corr = calcPearson(EuclidDists, D); //G is the pcoa file, D is the users distance matrix
+ double corr = linearCalc.calcPearson(EuclidDists, D); //G is the pcoa file, D is the users distance matrix
m->mothurOut("Pearson's coefficient using " + toString(i) + " axis: " + toString(corr)); m->mothurOutEndLine();
exit(1);
}
}
-/*********************************************************************************************************************************/
-vector< vector<double> > PCOACommand::calculateEuclidianDistance(vector< vector<double> >& axes, int dimensions){
- try {
- //make square matrix
- vector< vector<double> > dists; dists.resize(axes.size());
- for (int i = 0; i < dists.size(); i++) { dists[i].resize(axes.size(), 0.0); }
-
- if (dimensions == 1) { //one dimension calc = abs(x-y)
-
- for (int i = 0; i < dists.size(); i++) {
-
- if (m->control_pressed) { return dists; }
-
- for (int j = 0; j < i; j++) {
- dists[i][j] = abs(axes[i][0] - axes[j][0]);
- dists[j][i] = dists[i][j];
- }
- }
-
- }else if (dimensions == 2) { //two dimension calc = sqrt ((x1 - y1)^2 + (x2 - y2)^2)
-
- for (int i = 0; i < dists.size(); i++) {
-
- if (m->control_pressed) { return dists; }
-
- for (int j = 0; j < i; j++) {
- double firstDim = ((axes[i][0] - axes[j][0]) * (axes[i][0] - axes[j][0]));
- double secondDim = ((axes[i][1] - axes[j][1]) * (axes[i][1] - axes[j][1]));
-
- dists[i][j] = sqrt((firstDim + secondDim));
- dists[j][i] = dists[i][j];
- }
- }
-
- }else if (dimensions == 3) { //two dimension calc = sqrt ((x1 - y1)^2 + (x2 - y2)^2 + (x3 - y3)^2)
-
- for (int i = 0; i < dists.size(); i++) {
-
- if (m->control_pressed) { return dists; }
-
- for (int j = 0; j < i; j++) {
- double firstDim = ((axes[i][0] - axes[j][0]) * (axes[i][0] - axes[j][0]));
- double secondDim = ((axes[i][1] - axes[j][1]) * (axes[i][1] - axes[j][1]));
- double thirdDim = ((axes[i][2] - axes[j][2]) * (axes[i][2] - axes[j][2]));
-
- dists[i][j] = sqrt((firstDim + secondDim + thirdDim));
- dists[j][i] = dists[i][j];
- }
- }
-
- }else { m->mothurOut("[ERROR]: too many dimensions, aborting."); m->mothurOutEndLine(); m->control_pressed = true; }
-
- return dists;
- }
- catch(exception& e) {
- m->errorOut(e, "PCOACommand", "calculateEuclidianDistance");
- exit(1);
- }
-}
-/*********************************************************************************************************************************/
-double PCOACommand::calcPearson(vector< vector<double> >& euclidDists, vector< vector<double> >& userDists){
- try {
-
- //find average for - X
- vector<float> averageEuclid; averageEuclid.resize(euclidDists.size(), 0.0);
- for (int i = 0; i < euclidDists.size(); i++) {
- for (int j = 0; j < euclidDists[i].size(); j++) {
- averageEuclid[i] += euclidDists[i][j];
- }
- }
- for (int i = 0; i < averageEuclid.size(); i++) { averageEuclid[i] = averageEuclid[i] / (float) euclidDists.size(); }
-
- //find average for - Y
- vector<float> averageUser; averageUser.resize(userDists.size(), 0.0);
- for (int i = 0; i < userDists.size(); i++) {
- for (int j = 0; j < userDists[i].size(); j++) {
- averageUser[i] += userDists[i][j];
- }
- }
- for (int i = 0; i < averageUser.size(); i++) { averageUser[i] = averageUser[i] / (float) userDists.size(); }
-
- double numerator = 0.0;
- double denomTerm1 = 0.0;
- double denomTerm2 = 0.0;
-
- for (int i = 0; i < euclidDists.size(); i++) {
-
- for (int k = 0; k < i; k++) {
-
- float Yi = userDists[i][k];
- float Xi = euclidDists[i][k];
-
- numerator += ((Xi - averageEuclid[k]) * (Yi - averageUser[k]));
- denomTerm1 += ((Xi - averageEuclid[k]) * (Xi - averageEuclid[k]));
- denomTerm2 += ((Yi - averageUser[k]) * (Yi - averageUser[k]));
- }
- }
-
- double denom = (sqrt(denomTerm1) * sqrt(denomTerm2));
- double r = numerator / denom;
-
- return r;
- }
- catch(exception& e) {
- m->errorOut(e, "PCOACommand", "calculateEuclidianDistance");
- exit(1);
- }
-}
-/*********************************************************************************************************************************/
-
-inline double SIGN(const double a, const double b)
-{
- return b>=0 ? (a>=0 ? a:-a) : (a>=0 ? -a:a);
-}
-
/*********************************************************************************************************************************/
void PCOACommand::get_comment(istream& f, char begin, char end){
/*********************************************************************************************************************************/
-double PCOACommand::pythag(double a, double b) { return(pow(a*a+b*b,0.5)); }
-
-/*********************************************************************************************************************************/
-
-void PCOACommand::matrix_mult(vector<vector<double> > first, vector<vector<double> > second, vector<vector<double> >& product){
- try {
- int first_rows = first.size();
- int first_cols = first[0].size();
- int second_cols = second[0].size();
-
- product.resize(first_rows);
- for(int i=0;i<first_rows;i++){
- product[i].resize(second_cols);
- }
-
- for(int i=0;i<first_rows;i++){
- for(int j=0;j<second_cols;j++){
- product[i][j] = 0.0;
- for(int k=0;k<first_cols;k++){
- product[i][j] += first[i][k] * second[k][j];
- }
- }
- }
- }
- catch(exception& e) {
- m->errorOut(e, "PCOACommand", "matrix_mult");
- exit(1);
- }
-
-}
-
-/*********************************************************************************************************************************/
-
void PCOACommand::recenter(double offset, vector<vector<double> > D, vector<vector<double> >& G){
try {
int rank = D.size();
}
}
- matrix_mult(C,A,A);
- matrix_mult(A,C,G);
+ A = linearCalc.matrix_mult(C,A);
+ G = linearCalc.matrix_mult(A,C);
}
catch(exception& e) {
m->errorOut(e, "PCOACommand", "recenter");
/*********************************************************************************************************************************/
-// This function is taken from Numerical Recipes in C++ by Press et al., 2nd edition, pg. 479
-
-void PCOACommand::tred2(vector<vector<double> >& a, vector<double>& d, vector<double>& e){
- try {
- double scale, hh, h, g, f;
-
- int n = a.size();
-
- d.resize(n);
- e.resize(n);
-
- for(int i=n-1;i>0;i--){
- int l=i-1;
- h = scale = 0.0000;
- if(l>0){
- for(int k=0;k<l+1;k++){
- scale += fabs(a[i][k]);
- }
- if(scale == 0.0){
- e[i] = a[i][l];
- }
- else{
- for(int k=0;k<l+1;k++){
- a[i][k] /= scale;
- h += a[i][k] * a[i][k];
- }
- f = a[i][l];
- g = (f >= 0.0 ? -sqrt(h) : sqrt(h));
- e[i] = scale * g;
- h -= f * g;
- a[i][l] = f - g;
- f = 0.0;
- for(int j=0;j<l+1;j++){
- a[j][i] = a[i][j] / h;
- g = 0.0;
- for(int k=0;k<j+1;k++){
- g += a[j][k] * a[i][k];
- }
- for(int k=j+1;k<l+1;k++){
- g += a[k][j] * a[i][k];
- }
- e[j] = g / h;
- f += e[j] * a[i][j];
- }
- hh = f / (h + h);
- for(int j=0;j<l+1;j++){
- f = a[i][j];
- e[j] = g = e[j] - hh * f;
- for(int k=0;k<j+1;k++){
- a[j][k] -= (f * e[k] + g * a[i][k]);
- }
- }
- }
- }
- else{
- e[i] = a[i][l];
- }
-
- d[i] = h;
- }
-
- d[0] = 0.0000;
- e[0] = 0.0000;
-
- for(int i=0;i<n;i++){
- int l = i;
- if(d[i] != 0.0){
- for(int j=0;j<l;j++){
- g = 0.0000;
- for(int k=0;k<l;k++){
- g += a[i][k] * a[k][j];
- }
- for(int k=0;k<l;k++){
- a[k][j] -= g * a[k][i];
- }
- }
- }
- d[i] = a[i][i];
- a[i][i] = 1.0000;
- for(int j=0;j<l;j++){
- a[j][i] = a[i][j] = 0.0;
- }
- }
- }
- catch(exception& e) {
- m->errorOut(e, "PCOACommand", "tred2");
- exit(1);
- }
-
-}
-
-/*********************************************************************************************************************************/
-
-// This function is taken from Numerical Recipes in C++ by Press et al., 2nd edition, pg. 479
-
-void PCOACommand::qtli(vector<double>& d, vector<double>& e, vector<vector<double> >& z) {
- try {
- int m, i, iter;
- double s, r, p, g, f, dd, c, b;
-
- int n = d.size();
- for(int i=1;i<=n;i++){
- e[i-1] = e[i];
- }
- e[n-1] = 0.0000;
-
- for(int l=0;l<n;l++){
- iter = 0;
- do {
- for(m=l;m<n-1;m++){
- dd = fabs(d[m]) + fabs(d[m+1]);
- if(fabs(e[m])+dd == dd) break;
- }
- if(m != l){
- if(iter++ == 30) cerr << "Too many iterations in tqli\n";
- g = (d[l+1]-d[l]) / (2.0 * e[l]);
- r = pythag(g, 1.0);
- g = d[m] - d[l] + e[l] / (g + SIGN(r,g));
- s = c = 1.0;
- p = 0.0000;
- for(i=m-1;i>=l;i--){
- f = s * e[i];
- b = c * e[i];
- e[i+1] = (r=pythag(f,g));
- if(r==0.0){
- d[i+1] -= p;
- e[m] = 0.0000;
- break;
- }
- s = f / r;
- c = g / r;
- g = d[i+1] - p;
- r = (d[i] - g) * s + 2.0 * c * b;
- d[i+1] = g + ( p = s * r);
- g = c * r - b;
- for(int k=0;k<n;k++){
- f = z[k][i+1];
- z[k][i+1] = s * z[k][i] + c * f;
- z[k][i] = c * z[k][i] - s * f;
- }
- }
- if(r == 0.00 && i >= l) continue;
- d[l] -= p;
- e[l] = g;
- e[m] = 0.0;
- }
- } while (m != l);
- }
-
- int k;
- for(int i=0;i<n;i++){
- p=d[k=i];
- for(int j=i;j<n;j++){
- if(d[j] >= p){
- p=d[k=j];
- }
- }
- if(k!=i){
- d[k]=d[i];
- d[i]=p;
- for(int j=0;j<n;j++){
- p=z[j][i];
- z[j][i] = z[j][k];
- z[j][k] = p;
- }
- }
- }
- }
- catch(exception& e) {
- m->errorOut(e, "PCOACommand", "qtli");
- exit(1);
- }
-}
-
-/*********************************************************************************************************************************/
-
void PCOACommand::output(string fnameRoot, vector<string> name_list, vector<vector<double> >& G, vector<double> d) {
try {
int rank = name_list.size();
projects / mothur.git / blobdiff