Galaxy |

Changeset 18:e5a5ad882f1f (2020-10-02)

Previous changeset 17:1ae5dfd5ac17 (2020-03-11) Next changeset 19:cb5635e30842 (2021-04-13)

Commit message:
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 2afb24f3c81d625312186750a714d702363012b5"

added:
pca.py
test-data/pca_classical_header_names_output.dat
test-data/pca_classical_output.dat
test-data/pca_incremental_header_names_output.dat
test-data/pca_incremental_output.dat
test-data/pca_input.dat
test-data/pca_input_with_headers.dat

diff -r 1ae5dfd5ac17 -r e5a5ad882f1f pca.py
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/pca.py Fri Oct 02 08:41:16 2020 +0000

[

@@ -0,0 +1,99 @@
+import argparse
+import numpy as np
+from sklearn.decomposition import PCA, IncrementalPCA, KernelPCA
+from galaxy_ml.utils import read_columns
+
+def main():
+    parser = argparse.ArgumentParser(description='RDKit screen')
+    parser.add_argument('-i', '--infile',
+                        help="Input file")
+    parser.add_argument('--header', action='store_true', help="Include the header row or skip it")
+    parser.add_argument('-c', '--columns', type=str.lower, default='all', choices=['by_index_number', 'all_but_by_index_number',\
+                        'by_header_name', 'all_but_by_header_name', 'all_columns'],
+                        help="Choose to select all columns, or exclude/include some")
+    parser.add_argument('-ci', '--column_indices', type=str.lower,
+                        help="Choose to select all columns, or exclude/include some")
+    parser.add_argument('-n', '--number', nargs='?', type=int, default=None,\
+                        help="Number of components to keep. If not set, all components are kept")
+    parser.add_argument('--whiten', action='store_true', help="Whiten the components")
+    parser.add_argument('-t', '--pca_type', type=str.lower, default='classical', choices=['classical', 'incremental', 'kernel'],
+                        help="Choose which flavour of PCA to use")
+    parser.add_argument('-s', '--svd_solver', type=str.lower, default='auto', choices=['auto', 'full', 'arpack', 'randomized'],
+                        help="Choose the type of svd solver.")
+    parser.add_argument('-b', '--batch_size', nargs='?', type=int, default=None,\
+                        help="The number of samples to use for each batch")
+    parser.add_argument('-k', '--kernel', type=str.lower, default='linear',\
+                        choices=['linear', 'poly', 'rbf', 'sigmoid', 'cosine', 'precomputed'],
+                        help="Choose the type of kernel.")
+    parser.add_argument('-g', '--gamma', nargs='?', type=float, default=None,
+                        help='Kernel coefficient for rbf, poly and sigmoid kernels. Ignored by other kernels')
+    parser.add_argument('-tol', '--tolerance', type=float, default=0.0,
+                        help='Convergence tolerance for arpack. If 0, optimal value will be chosen by arpack')
+    parser.add_argument('-mi', '--max_iter', nargs='?', type=int, default=None,\
+                        help="Maximum number of iterations for arpack")
+    parser.add_argument('-d', '--degree', type=int, default=3,\
+                        help="Degree for poly kernels. Ignored by other kernels")
+    parser.add_argument('-cf', '--coef0', type=float, default=1.0,
+                        help='Independent term in poly and sigmoid kernels')
+    parser.add_argument('-e', '--eigen_solver', type=str.lower, default='auto', choices=['auto', 'dense', 'arpack'],
+                        help="Choose the type of eigen solver.")
+    parser.add_argument('-o', '--outfile',
+                        help="Base name for output file (no extension).")
+    args = parser.parse_args()
+
+    usecols = None
+    cols = []
+    pca_params = {}
+
+    if args.columns == 'by_index_number' or args.columns == 'all_but_by_index_number':
+        usecols = [int(i) for i in args.column_indices.split(',')]
+    elif args.columns == 'by_header_name' or args.columns == 'all_but_by_header_name':
+        usecols = args.column_indices
+
+    header = 'infer' if args.header else None
+
+    pca_input = read_columns(
+        f=args.infile,
+        c=usecols,
+        c_option=args.columns,
+        sep='\t',
+        header=header,
+        parse_dates=True,
+        encoding=None,
+        index_col=None)
+
+    pca_params.update({'n_components': args.number})
+
+    if args.pca_type == 'classical':
+        pca_params.update({'svd_solver': args.svd_solver, 'whiten': args.whiten})
+        if args.svd_solver == 'arpack':
+            pca_params.update({'tol': args.tolerance})
+        pca = PCA()
+
+    elif args.pca_type == 'incremental':
+        pca_params.update({'batch_size': args.batch_size, 'whiten': args.whiten})
+        pca = IncrementalPCA()
+
+    elif args.pca_type == 'kernel':
+        pca_params.update({'kernel': args.kernel, 'eigen_solver': args.eigen_solver, 'gamma': args.gamma})
+
+        if args.kernel == 'poly':
+            pca_params.update({'degree': args.degree, 'coef0': args.coef0})
+        elif args.kernel == 'sigmoid':
+            pca_params.update({'coef0': args.coef0})
+        elif args.kernel == 'precomputed':
+            pca_input = np.dot(pca_input, pca_input.T)
+
+        if args.eigen_solver == 'arpack':
+            pca_params.update({'tol': args.tolerance, 'max_iter': args.max_iter})
+
+        pca = KernelPCA()
+
+    print(pca_params)
+    pca.set_params(**pca_params)
+    pca_output = pca.fit_transform(pca_input)
+    np.savetxt(fname=args.outfile, X=pca_output, fmt='%.4f', delimiter='\t')
+
+
+if __name__ == "__main__":
+    main()

diff -r 1ae5dfd5ac17 -r e5a5ad882f1f test-data/pca_classical_header_names_output.dat
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/pca_classical_header_names_output.dat Fri Oct 02 08:41:16 2020 +0000

b'@@ -0,0 +1,300 @@\n+-3.9779\t1.8818\t2.6506\t-1.1628\t-0.0983\n+-2.3700\t0.6756\t-1.6186\t-1.4164\t1.0327\n+-3.0925\t2.4577\t-1.8726\t-0.4041\t1.5016\n+-4.0151\t2.3686\t0.3256\t-0.0685\t-0.2168\n+-4.7065\t3.1394\t2.3137\t0.1907\t-1.6303\n+-4.9613\t4.6941\t1.2908\t1.0298\t-0.8817\n+-4.8364\t5.2936\t0.8793\t1.3212\t0.0849\n+-5.0224\t2.7565\t4.6351\t-0.5397\t-1.3489\n+-2.9068\t1.6461\t-1.9066\t-0.5100\t-0.6820\n+-4.7713\t4.0171\t2.1659\t0.5434\t-1.4630\n+-2.7521\t-1.9309\t-0.9117\t-3.5728\t1.7161\n+-3.7407\t1.3845\t0.0141\t-1.5357\t1.3068\n+-4.3751\t1.0682\t2.3906\t-1.5298\t0.9064\n+-2.8532\t0.2430\t-0.8937\t-1.7428\t-1.1825\n+-2.4091\t-0.1393\t-0.0986\t-2.0343\t1.5498\n+-3.8699\t2.7278\t0.9261\t-0.4924\t0.7933\n+-4.6180\t3.2535\t2.4650\t-0.0468\t0.8258\n+-2.3362\t3.2961\t-2.7247\t0.9321\t-0.1294\n+-1.7741\t0.3277\t-3.2195\t-1.6272\t1.9721\n+-2.9188\t3.5196\t-1.5959\t0.6981\t0.3541\n+-4.0500\t2.5696\t1.0924\t-0.1582\t-1.7489\n+-5.3435\t6.4383\t1.7066\t1.9754\t0.9120\n+-4.1454\t6.1296\t-0.3939\t1.8899\t0.9309\n+-2.4452\t-0.6422\t0.2580\t-2.5687\t0.0322\n+-5.2047\t7.4266\t2.4849\t2.8623\t-1.3975\n+-2.5237\t-2.4427\t-1.5498\t-3.1847\t-1.6248\n+-1.7613\t1.6919\t-4.6466\t-0.5331\t1.3921\n+-1.1236\t2.5796\t-4.4469\t0.3771\t0.0692\n+-2.5892\t3.4039\t-1.3071\t0.2542\t0.1349\n+-3.5099\t-0.9352\t1.4462\t-2.5959\t-0.3994\n+-3.9546\t6.3431\t0.5939\t2.3052\t-0.2344\n+-2.0819\t-1.6617\t-1.0140\t-3.0790\t1.1571\n+-2.6320\t0.0703\t-0.0526\t-1.5092\t-1.8043\n+-1.8865\t0.2234\t-2.0628\t-1.9632\t2.3486\n+-4.5803\t3.1525\t2.6718\t-0.3104\t0.7210\n+-6.5473\t2.5731\t6.0056\t-0.6369\t-1.2620\n+-5.8360\t4.1304\t4.6222\t0.5425\t-0.1996\n+-1.1136\t3.4820\t-5.1375\t0.4626\t3.1966\n+-4.7698\t0.9659\t3.3912\t-1.9008\t-0.0558\n+-2.4391\t-0.7627\t-1.6123\t-1.9380\t-0.8111\n+-4.8859\t4.2069\t1.6117\t0.6831\t0.8832\n+-2.2466\t-1.0655\t-1.2645\t-2.4867\t-0.1625\n+-4.4644\t5.0000\t1.1159\t1.6869\t-0.4784\n+-3.7358\t0.9995\t1.6597\t-1.3727\t-1.7457\n+-5.8271\t3.6580\t5.8537\t-0.0174\t-0.9750\n+-4.7392\t4.2895\t2.1369\t0.6907\t-0.6801\n+-1.5432\t2.7403\t-5.0837\t0.0664\t2.6107\n+-5.7249\t7.7343\t3.2678\t3.5103\t-2.0555\n+-4.2566\t5.3778\t1.2450\t1.4052\t0.2429\n+-5.7932\t5.3928\t4.6237\t1.0285\t1.0814\n+-2.9574\t-1.1660\t1.2251\t-2.5803\t-0.5026\n+-2.0365\t4.7362\t-3.8569\t1.8582\t-0.6083\n+-5.1883\t6.2608\t1.6921\t2.1737\t0.9110\n+-5.5934\t1.2903\t5.3088\t-1.4372\t0.2000\n+-1.4178\t0.5340\t-3.0765\t-1.4210\t1.9659\n+-5.1568\t4.3100\t2.6279\t0.8400\t-0.4656\n+-4.2551\t3.3395\t1.2265\t-0.0344\t-0.0296\n+-6.4636\t3.6525\t5.4351\t-0.1493\t1.1392\n+-4.0271\t-0.6214\t2.0667\t-2.5704\t0.5389\n+-3.2885\t2.2421\t0.4406\t-0.5508\t0.4760\n+-3.2320\t3.1264\t0.1610\t0.0045\t-0.3199\n+-2.6003\t5.2398\t-2.1366\t1.6829\t0.7428\n+-4.3207\t1.7506\t1.6012\t-0.9072\t-1.5917\n+-1.9287\t2.7030\t-3.8706\t0.1751\t0.9751\n+-4.6549\t5.5519\t2.1315\t1.7555\t-0.4025\n+-2.4743\t1.5111\t-1.6381\t-0.8537\t-0.4237\n+-1.2837\t3.5483\t-5.9098\t0.8155\t0.5023\n+-3.9514\t5.4703\t0.2135\t1.6665\t0.0226\n+-3.1575\t3.1697\t-2.0242\t-0.1906\t2.4084\n+-6.7971\t3.1578\t6.8243\t-0.5140\t-0.4121\n+-5.9999\t3.1135\t6.0259\t0.1711\t-2.0321\n+-2.3450\t1.9814\t-1.1103\t-0.7338\t0.6581\n+-1.5478\t0.3095\t-3.1375\t-1.9311\t2.3145\n+-3.6067\t1.2237\t-0.4271\t-1.2399\t-0.0987\n+-3.0574\t-0.0303\t-1.0815\t-1.5251\t-1.7385\n+-3.7608\t4.9627\t0.5748\t1.3373\t1.6977\n+-3.3834\t2.2529\t-1.4015\t-0.3531\t-0.8381\n+-5.3297\t2.0845\t4.0157\t-1.0934\t0.1069\n+-4.6415\t5.6565\t1.0886\t1.6713\t-0.3536\n+-4.7611\t4.6882\t1.0939\t0.9883\t1.7929\n+-1.7499\t1.7738\t-2.6457\t-0.0629\t-0.5751\n+-5.1579\t7.5589\t1.1299\t3.1680\t-0.8202\n+-3.4019\t-1.4226\t0.3991\t-2.5729\t-0.9099\n+-1.6689\t1.3580\t-3.7300\t-0.7291\t1.5630\n+-5.5132\t6.6256\t3.6086\t1.9423\t0.3727\n+-4.4010\t7.0180\t1.1796\t2.6417\t0.9847\n+-2.1174\t3.1273\t-2.6107\t-0.2004\t2.3541\n+-2.2818\t-0.7861\t-1.5672\t-1.8685\t-1.2308\n+-4.2055\t4.8158\t-0.1348\t1.2570\t-0.2039\n+-2.2741\t1.1907\t-1.5868\t-1.0998\t-0.5999\n+-3.0433\t3.1513\t-1.8017\t0.1704\t0.3636\n+-5.3872\t1.7330\t5.6772\t-1.1538\t-0.2345\n+-3.5773\t2.5712\t-0.8771\t0.2747\t-1.2405\n+-3.0843\t1.4711\t-0.1928\t-1.2214\t1.2785\n+-1.9572\t3.5730\t-4.2197\t0.3158\t2.0016\n+-2.3444\t4.7106\t-3.7159\t1.0094\t1.7919\n+-3.4024\t1.1605\t0.5845\t-1.1358\t-0.6689\n+-3.2321\t4.3272\t-1.2592\t1.0365\t-0.4073\n+-5.0553\t5.8588\t3.0041\t1.9760\t-0.7261\n+-3.6706\t1.0101\t1.8198\t-1.8471\t1.1714\n+8.9574\t3.4341\t-0.6861\t1.5391\t0.1971\n+10.4081\t3.3686\t0.6688\t0.9791\t2.2503\n+8.8871\t0.8254\t3.9087\t-0.9576\t1.5038\n+2.168'..b'435\t-2.7504\t0.4447\n+0.0868\t-0.4073\t-1.2184\t-1.6489\t-2.2725\n+4.9808\t-1.5720\t2.3203\t-2.7613\t1.7252\n+-2.5810\t-5.5079\t0.0561\t2.7450\t-1.9096\n+0.0370\t-2.1438\t-0.4775\t-3.6280\t1.6759\n+1.0997\t-3.5629\t1.4259\t1.7291\t-1.2305\n+-1.3638\t-2.9435\t-0.1034\t-1.4507\t-0.9311\n+-0.7078\t-4.3400\t-1.1441\t0.4367\t-1.7198\n+-0.5174\t-3.5645\t0.2025\t0.4664\t0.8917\n+-2.6934\t-6.0138\t-1.9617\t2.8409\t-1.2291\n+-0.9761\t-2.4423\t-1.2032\t-2.4114\t-2.0578\n+0.4854\t-5.7924\t0.7961\t2.7641\t0.1446\n+0.2325\t-3.0261\t-0.5759\t-1.7790\t0.5984\n+1.4671\t-1.9240\t0.8327\t-1.8960\t-0.4687\n+-2.5020\t-5.9264\t-1.0911\t2.3968\t0.3954\n+0.5726\t-3.6055\t1.0491\t-0.0200\t1.7178\n+1.2348\t-2.2932\t1.4641\t-1.1600\t0.3434\n+1.5601\t-1.7994\t0.7362\t-1.6966\t0.7891\n+-1.2684\t-4.2416\t-1.5761\t0.0715\t-1.2373\n+-1.2743\t-1.4687\t0.5370\t-2.5136\t1.0946\n+-0.1360\t-4.4661\t-0.0391\t0.5382\t2.6005\n+-0.3517\t-4.6240\t-0.4723\t1.6165\t-2.1852\n+1.4760\t-2.5560\t0.2351\t-0.9202\t0.4155\n+-1.7783\t-5.3517\t0.7277\t3.2291\t1.2118\n+1.6356\t-3.7406\t0.1185\t1.1998\t-2.1563\n+-1.5925\t-4.0036\t-0.4063\t-0.3156\t1.4120\n+0.5318\t-6.1624\t1.3086\t4.4905\t-1.6720\n+-2.1599\t-2.1987\t-1.7868\t-2.7058\t-0.8553\n+-0.1707\t-3.3282\t0.2381\t-0.0381\t0.8412\n+0.2620\t-2.7657\t-0.3002\t-2.0651\t-1.3784\n+-1.4631\t-2.2472\t-0.7439\t-2.3037\t1.4133\n+-0.6767\t-2.6672\t0.4721\t-0.4983\t-0.3085\n+0.8239\t-2.9922\t0.8695\t1.0520\t-1.3905\n+-2.8612\t-4.9086\t-0.2330\t1.8419\t-2.0691\n+0.9513\t-4.1058\t-0.0948\t0.4003\t0.9779\n+-0.7449\t-2.5754\t0.1638\t-0.3664\t-1.0395\n+-2.8790\t-6.2301\t-1.0229\t3.2147\t-1.2238\n+0.4482\t-6.0936\t0.7186\t2.6087\t1.1673\n+-0.8581\t-4.9450\t1.2239\t2.8168\t1.9155\n+-1.9585\t-5.5486\t0.1892\t2.2741\t0.9021\n+-0.7563\t-3.0605\t0.3737\t-1.2120\t-0.5686\n+-1.2176\t-5.9017\t-0.7336\t3.0326\t-1.7117\n+-0.3342\t-6.3764\t-0.2172\t4.3070\t-1.8445\n+-1.8562\t-1.9825\t0.1295\t-1.7173\t1.1371\n+-0.2782\t-4.6277\t1.0273\t1.3582\t1.5796\n+-2.8011\t-3.9132\t-0.0397\t-0.1702\t0.0073\n+0.4691\t-5.7114\t1.0759\t2.0051\t2.1326\n+-0.3390\t-3.6590\t-0.0755\t-0.2534\t1.4111\n+-1.6579\t-2.2403\t0.1202\t-2.8767\t1.5805\n+-1.9985\t-1.4155\t-0.0361\t-2.4219\t1.1876\n+-0.7262\t-2.5969\t-0.9169\t-1.8642\t-1.8831\n+0.2857\t-6.9537\t-0.1326\t4.3486\t-0.2990\n+0.3086\t-4.2096\t1.1225\t0.8869\t2.5561\n+-1.0663\t-4.8302\t-0.2336\t1.1157\t1.8525\n+1.8021\t-2.9988\t0.2358\t-0.4046\t0.6294\n+-0.6291\t-4.2600\t-0.6726\t1.3688\t-0.7486\n+-0.3361\t-2.0217\t-0.1530\t-1.7010\t-2.3760\n+1.2746\t-3.1963\t1.5362\t-0.5552\t0.5358\n+1.3034\t-4.6254\t1.0466\t0.2558\t2.0886\n+-1.8983\t-4.7895\t-0.5294\t2.0973\t-1.6399\n+0.4626\t-5.0153\t1.1064\t3.2728\t-0.2280\n+0.7110\t-3.3192\t-0.2483\t-0.9576\t0.0827\n+-0.1416\t-5.5202\t1.0561\t2.5331\t0.7097\n+-0.7655\t-3.2629\t0.7123\t0.0562\t1.2078\n+-1.3523\t-4.5564\t0.2855\t1.3386\t-2.0493\n+-1.7088\t-2.2341\t0.0825\t-2.0599\t0.8335\n+-3.1236\t-5.9987\t-0.0811\t3.0773\t1.9977\n+1.2663\t-4.4825\t1.5603\t1.2249\t1.6582\n+-0.6526\t-5.8705\t0.9230\t2.7318\t1.7473\n+0.3953\t-2.5365\t-0.0945\t-3.0766\t1.7426\n+-0.1625\t-3.4281\t0.1297\t-0.4754\t1.6961\n+-2.2140\t-5.0133\t-0.0794\t0.9143\t2.5583\n+-0.4613\t-6.2075\t1.2719\t4.1384\t2.7730\n+-1.4160\t-7.0144\t-0.4855\t3.6068\t0.5113\n+0.6889\t-3.8158\t1.3029\t0.6781\t1.8137\n+0.9439\t-4.3010\t0.8782\t0.0062\t2.0116\n+-1.8597\t-3.7948\t-1.2024\t-0.3578\t-2.7539\n+-1.6633\t-3.2509\t-1.2846\t-1.4958\t0.0063\n+-1.6431\t-2.0504\t-0.6246\t-2.3438\t-2.7969\n+-2.3001\t-4.4964\t-0.8472\t-0.0680\t-0.8250\n+-1.5611\t-4.4606\t0.2359\t0.9168\t-0.6425\n+1.3137\t-1.1202\t1.7077\t-2.6874\t1.5428\n+-1.6780\t-5.6718\t0.0590\t2.3780\t-1.0233\n+-2.5783\t-6.3740\t-0.3193\t3.5583\t3.0596\n+-0.6061\t-2.7607\t-1.2368\t-1.6965\t-2.5497\n+-2.6190\t-3.5589\t0.1136\t0.0072\t2.0735\n+-1.0030\t-6.4175\t0.5149\t3.7496\t0.7330\n+-1.7912\t-5.1464\t-1.0372\t1.4546\t-0.7956\n+-1.5792\t-4.4416\t0.1851\t0.9401\t-1.6688\n+0.2980\t-4.1670\t-0.0238\t0.2527\t-0.5423\n+-1.1631\t-3.4712\t0.8661\t-0.5976\t1.4833\n+-0.2476\t-5.4577\t-0.6047\t2.7129\t-1.6734\n+0.2774\t-6.7209\t0.9426\t4.4414\t-0.2085\n+-2.3883\t-2.2052\t-1.6941\t-2.3223\t-1.2636\n+-1.3874\t-4.1603\t0.0421\t0.9842\t1.4190\n+-2.8690\t-5.6070\t0.0897\t3.4202\t1.5811\n+-0.6246\t-6.5834\t0.4792\t3.6943\t1.5019\n+0.0832\t-2.1370\t-1.5266\t-2.4836\t-2.9471\n+0.4752\t-5.1350\t1.0637\t3.0672\t-1.3305\n+-1.1580\t-4.1051\t0.2756\t1.9264\t-1.8723\n+-1.5835\t-4.6959\t-0.7588\t-0.2192\t0.3629\n+-2.3501\t-1.8305\t-1.6013\t-2.4534\t-2.6362\n+-0.9423\t-3.9026\t-0.2186\t0.8125\t-2.2811\n'

diff -r 1ae5dfd5ac17 -r e5a5ad882f1f test-data/pca_classical_output.dat
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/pca_classical_output.dat Fri Oct 02 08:41:16 2020 +0000

diff -r 1ae5dfd5ac17 -r e5a5ad882f1f test-data/pca_incremental_header_names_output.dat
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/pca_incremental_header_names_output.dat Fri Oct 02 08:41:16 2020 +0000

b'@@ -0,0 +1,300 @@\n+-4.5041\t1.2787\t-0.9244\t-0.6417\t2.4742\t-0.6790\t-2.2376\n+-2.3058\t0.3190\t2.0467\t-1.5089\t-1.7879\t-2.8580\t2.3471\n+-3.6298\t1.9778\t0.5695\t3.2844\t-2.1532\t1.0649\t0.2268\n+-4.9371\t1.9948\t-1.1517\t-0.7883\t0.1443\t0.3281\t-1.6340\n+-5.1251\t2.1148\t1.0578\t-1.2113\t2.7850\t-0.4718\t-0.5876\n+-5.2311\t3.1236\t2.4521\t-0.1645\t2.0950\t1.3657\t-1.2221\n+-5.2736\t3.9401\t3.1613\t-0.4221\t1.4421\t0.6351\t1.4170\n+-5.8843\t2.3108\t-0.9970\t-2.5925\t4.5634\t-1.7216\t-0.6943\n+-3.0847\t0.9348\t1.2297\t-0.1673\t-1.5983\t-0.3054\t-0.8598\n+-5.0726\t2.7358\t2.1948\t0.6672\t2.8109\t0.2199\t0.2954\n+-3.0489\t-1.4621\t-1.4039\t2.2051\t-2.1125\t-3.5712\t1.8233\n+-3.9828\t0.4789\t-0.4798\t3.1414\t-0.2706\t1.0323\t-3.0673\n+-4.7769\t0.5637\t-0.6189\t2.4042\t1.8522\t-0.8892\t0.1666\n+-2.8177\t-0.2411\t1.1106\t-1.6952\t-0.7266\t-2.7600\t-0.0377\n+-3.3395\t0.6116\t-2.4104\t0.4482\t-1.2702\t-2.2185\t1.2082\n+-3.7895\t1.3834\t1.9512\t0.4855\t1.2103\t0.2934\t-1.2998\n+-5.6850\t2.9597\t-0.6627\t-1.3921\t1.9849\t-0.8803\t0.8756\n+-2.3684\t1.9853\t2.1848\t1.9063\t-1.9759\t2.9765\t-2.6155\n+-2.7658\t1.1415\t-1.5911\t-2.5974\t-4.2491\t-2.4650\t1.0467\n+-3.4687\t2.6724\t0.7399\t-2.5064\t-1.2477\t1.3807\t-2.8392\n+-4.1960\t1.4928\t1.5341\t3.2301\t1.6231\t0.5496\t-0.1931\n+-6.8974\t5.6555\t-0.4728\t-0.2712\t1.6418\t2.8355\t-1.2524\n+-5.4610\t5.7033\t1.6135\t-2.4726\t-0.3671\t0.4024\t2.5259\n+-3.6199\t0.4197\t-3.3176\t0.7440\t-0.9565\t-3.1444\t1.3050\n+-6.9755\t6.9895\t0.8969\t-1.2372\t2.7908\t1.0709\t2.8530\n+-2.4744\t-2.4406\t-1.2029\t1.7749\t-1.8143\t-2.5760\t-1.4119\n+-2.2670\t1.4244\t0.3150\t-0.3939\t-4.8261\t0.5653\t-1.5405\n+-1.2997\t1.8646\t1.6713\t0.9233\t-3.9371\t1.9971\t-2.1376\n+-2.9030\t2.7832\t2.8769\t-2.1591\t-0.9938\t-1.4089\t2.2805\n+-4.0193\t-0.7911\t-2.3511\t-2.6334\t0.8198\t-3.1752\t-1.7134\n+-4.6438\t5.1543\t2.9044\t-3.5749\t1.3863\t1.1820\t0.2145\n+-3.1379\t-0.3608\t-3.4466\t2.6176\t-2.5651\t-3.1252\t2.2431\n+-3.3334\t0.1605\t-2.3825\t-0.8492\t-0.2283\t-0.9548\t-3.0823\n+-1.8428\t-0.3384\t-0.2287\t1.0854\t-2.4548\t0.2911\t-3.1773\n+-5.7377\t2.9593\t-1.3065\t2.8244\t2.0424\t0.2718\t0.8933\n+-7.5818\t1.9024\t-2.0175\t1.7637\t5.6534\t-0.4313\t-0.7429\n+-6.7842\t3.2537\t-0.5172\t1.7928\t4.5232\t1.0479\t-0.2527\n+-2.6542\t4.2982\t-0.6507\t-0.7068\t-6.0759\t0.4216\t2.2052\n+-4.7066\t-0.0723\t0.5610\t2.7188\t3.2642\t-1.3372\t-0.2390\n+-3.1046\t-0.4176\t-2.2528\t3.1483\t-2.1742\t-0.7089\t-0.9199\n+-5.1411\t2.5961\t1.4787\t2.5253\t1.9749\t2.6935\t-2.1514\n+-3.0358\t-0.4673\t-3.0178\t-0.1183\t-2.0737\t-1.9430\t-1.7089\n+-4.8013\t3.3868\t2.2209\t-2.8917\t1.9785\t1.7562\t-2.4000\n+-4.8966\t1.5345\t-1.9107\t1.6206\t1.0586\t-2.4528\t2.2876\n+-6.4597\t2.5302\t-0.0772\t3.0385\t5.9297\t0.5882\t-0.3289\n+-5.9218\t3.7935\t-0.2556\t3.3005\t2.0236\t1.1245\t1.1257\n+-2.6684\t3.1373\t-0.3467\t-3.5191\t-5.6729\t-0.1143\t-0.0563\n+-6.6356\t5.9313\t2.3230\t-4.2617\t4.5651\t2.7706\t-2.2094\n+-5.6003\t4.9145\t-0.0899\t0.9846\t1.1772\t1.7796\t0.3640\n+-7.1334\t4.7398\t-0.3982\t-1.1846\t4.2620\t0.3247\t0.9009\n+-3.7706\t-0.4166\t-2.7645\t3.4809\t0.1927\t-2.6134\t1.7933\n+-2.5829\t3.6848\t2.0472\t0.9575\t-3.0212\t3.5198\t-2.3061\n+-5.9636\t4.7293\t1.7384\t-3.3395\t2.2166\t2.2397\t-1.9459\n+-5.6726\t0.3054\t0.5239\t-1.8098\t5.0980\t-2.8714\t0.6939\n+-1.6695\t0.2400\t-0.7679\t2.4374\t-3.4909\t1.2909\t-3.0332\n+-5.3286\t2.8034\t2.9264\t-1.9200\t3.2485\t-0.4062\t0.7878\n+-4.1365\t1.8401\t2.8304\t-2.6400\t1.8543\t-0.6305\t-0.9748\n+-7.3517\t2.9113\t-0.3355\t-1.6157\t4.9779\t-1.2069\t1.0193\n+-4.1967\t-0.9651\t-1.0766\t-0.8147\t1.4782\t-2.8124\t-0.7958\n+-3.3859\t1.1867\t0.7010\t1.8196\t0.6206\t1.2032\t-2.4485\n+-4.8094\t3.7086\t-1.5026\t-1.1737\t-0.4332\t-1.3418\t2.0650\n+-3.6897\t4.9698\t1.8855\t1.2100\t-2.0871\t1.2348\t3.0630\n+-4.6351\t1.0548\t0.6174\t-1.1733\t1.8384\t-1.7480\t-0.2812\n+-2.5884\t2.4750\t0.7398\t1.9273\t-3.9507\t1.3361\t0.0575\n+-4.9906\t4.0057\t3.2665\t-2.0939\t2.9379\t0.7270\t0.5404\n+-3.2473\t1.8445\t0.2434\t-0.5658\t-1.9457\t-2.2797\t2.6466\n+-2.3835\t3.6974\t0.5424\t0.1868\t-5.9273\t1.4366\t0.1764\n+-4.4944\t4.1873\t2.5387\t2.3093\t0.7909\t2.4807\t0.3451\n+-4.0672\t3.1357\t0.7866\t0.0835\t-2.6209\t-0.6464\t2.6246\n+-7.7257\t2.4335\t-0.7824\t4.0495\t6.3356\t-0.7156\t2.2593\n+-7.7345\t3.3520\t-3.0476\t3.4232\t5.3875\t-0.3854\t2.2324\n+-2.5709\t1.6372\t2.0053\t0.0627\t-1.1963\t-1.7860\t2.6362\n+-1.4913\t0.2742\t2.0702\t-1.8860\t-3.6079\t-3.4077\t2.9305\n+-3.8738\t0.4747\t-0.3085\t0.2335\t-0.4071\t0.0756\t-3.0254\n+-4.1544\t0.8081'..b'.6621\t-2.0543\n+2.4622\t-4.3923\t4.6318\t3.2286\t0.8290\t-1.3138\t-0.7092\n+-0.3768\t-3.3689\t0.9185\t3.4446\t-0.7548\t0.1917\t-2.8933\n+-1.5571\t-1.2636\t-4.4107\t-0.4740\t-0.5614\t-1.1182\t0.8865\n+0.7017\t-2.2599\t-3.0353\t-3.5220\t0.7490\t0.2524\t-1.4167\n+-2.0500\t-5.2108\t-0.5936\t2.8702\t0.0865\t1.7500\t1.8663\n+3.0137\t-5.0641\t3.4237\t3.1012\t0.4598\t0.6318\t2.2810\n+-1.5219\t-1.6394\t-4.8442\t2.7113\t-0.5852\t1.1910\t-1.9068\n+-2.3981\t-6.0576\t-2.8749\t-2.3686\t-1.0002\t2.5079\t0.2015\n+1.8921\t-6.3274\t-0.7450\t-2.7750\t0.8666\t2.2501\t-0.2021\n+1.5814\t-6.5836\t3.2901\t0.9566\t1.9993\t3.1253\t1.3281\n+-0.9830\t-5.8270\t-1.5955\t-1.7203\t0.1380\t2.4005\t-0.5153\n+0.2115\t-3.6162\t0.4305\t1.7197\t0.5603\t-0.5445\t-0.9444\n+-0.9981\t-5.0750\t-2.8310\t-3.8982\t-0.8326\t0.7471\t2.2110\n+1.8743\t-7.4837\t2.1129\t1.0955\t1.0676\t3.9861\t1.5601\n+-0.2173\t-3.4647\t3.5740\t-0.5041\t0.5984\t-1.8010\t-0.3018\n+-0.8708\t-3.0747\t-5.4424\t-0.2924\t-0.2948\t1.1786\t1.4711\n+-2.1813\t-4.1987\t-0.6857\t-2.5649\t-0.1683\t-1.1085\t0.0401\n+1.0261\t-4.8342\t-2.5095\t-3.2447\t0.3524\t0.5019\t2.4819\n+1.3312\t-4.7451\t1.9789\t-1.0770\t0.2929\t0.0568\t-1.0795\n+-0.4084\t-3.3231\t1.7444\t-2.2754\t0.1706\t-2.6516\t-2.3484\n+0.1271\t-3.6357\t5.1002\t-0.8028\t0.8378\t-1.9041\t-2.1182\n+-0.3108\t-2.5467\t0.0172\t0.5997\t-0.8420\t-2.4078\t0.2985\n+2.3229\t-7.7318\t0.5990\t1.5900\t0.6791\t4.9678\t0.7111\n+2.2490\t-5.2254\t2.0891\t-0.4591\t1.4099\t1.2195\t0.1653\n+0.8997\t-5.9620\t2.1464\t-3.1994\t0.2412\t0.6705\t-0.2757\n+1.6351\t-2.0544\t-3.3725\t2.7118\t-0.5164\t0.9859\t-0.7674\n+-0.3884\t-3.7377\t-2.0037\t-3.7865\t-0.8058\t-0.1159\t0.5169\n+-1.2854\t-0.6815\t-3.7704\t-1.2835\t-0.8277\t-2.8829\t0.1127\n+2.7532\t-3.6849\t1.9801\t-1.1850\t1.8530\t-1.4601\t0.8846\n+1.3367\t-3.5217\t-4.2259\t-1.7081\t0.0284\t0.6012\t-0.8891\n+0.2084\t-6.3242\t3.0772\t-2.9331\t0.7925\t1.0186\t-0.2763\n+0.4991\t-4.0107\t-3.9909\t-4.2000\t0.7601\t2.0399\t0.2795\n+2.0422\t-3.9227\t1.1896\t0.2482\t0.1053\t-0.3852\t-1.3664\n+1.3943\t-5.9124\t0.3596\t-2.3189\t1.3754\t1.5829\t1.1913\n+0.0278\t-3.4528\t-0.0648\t-0.0516\t0.5044\t-0.1313\t0.8862\n+-1.1295\t-4.1677\t-2.8210\t1.7549\t0.2425\t1.7050\t-0.0711\n+-0.8205\t-2.8645\t1.3685\t1.3576\t-0.0320\t-2.0074\t0.6672\n+-2.3925\t-5.9955\t-2.2835\t-4.1743\t-0.4680\t2.2192\t0.7221\n+2.4329\t-4.5049\t-0.5699\t-3.2655\t1.5086\t0.7033\t-0.3623\n+0.0935\t-5.5951\t-2.6666\t-0.0202\t0.4672\t3.1178\t0.7036\n+2.0608\t-3.6542\t2.5894\t0.5949\t0.1042\t-1.9610\t-2.1251\n+1.3668\t-4.3150\t1.5058\t-0.8470\t0.3603\t0.1046\t-1.2965\n+-0.7108\t-5.7729\t0.8471\t-2.1552\t-0.1474\t0.4989\t0.8110\n+2.0865\t-7.5741\t2.4725\t-3.2358\t1.9803\t3.5518\t1.0200\n+-0.7413\t-6.5902\t-3.3497\t-4.0118\t-0.7169\t2.8734\t-0.0154\n+1.9231\t-4.1669\t0.6324\t3.6388\t1.1516\t1.4119\t1.9045\n+0.9972\t-3.3835\t-3.8478\t0.4535\t-0.1122\t0.9351\t-0.6707\n+-1.4850\t-3.7556\t-0.8861\t2.0163\t-1.0464\t-0.5987\t0.6890\n+-0.6859\t-4.0281\t0.3683\t3.6759\t-1.1975\t0.3557\t-1.6469\n+-1.8927\t-1.7090\t-2.2045\t-2.1649\t-0.6862\t-2.7007\t-2.6949\n+-2.6846\t-3.5555\t-3.8040\t-2.2653\t-1.5920\t-1.2491\t0.6841\n+0.3020\t-5.6926\t2.2922\t-1.7143\t1.0921\t0.3534\t-0.3102\n+0.6378\t0.0965\t-3.4219\t1.3310\t0.4472\t-2.1190\t-0.2407\n+-1.9094\t-4.6694\t-5.0032\t-0.7066\t-0.5111\t2.2129\t0.1366\n+-0.5069\t-7.3869\t2.1287\t-3.7626\t-0.0722\t1.8540\t3.3739\n+-0.8111\t-2.1449\t-2.0660\t1.3755\t-1.4613\t-1.8106\t-0.2669\n+-2.1210\t-3.7767\t-1.4218\t-1.0966\t-0.4062\t0.3971\t-0.5842\n+-1.0161\t-5.3783\t-5.2064\t-4.0163\t-0.1682\t2.9910\t0.1047\n+-1.0107\t-5.1148\t-0.6561\t0.8090\t-1.0136\t0.7724\t2.2620\n+0.3727\t-5.6904\t3.2177\t3.2668\t1.1544\t0.6645\t2.2839\n+1.8337\t-4.6784\t1.9878\t1.5645\t0.4593\t-0.2257\t1.9580\n+-0.1967\t-4.0023\t-0.2283\t-1.0764\t0.7112\t-0.1925\t-1.3203\n+0.2941\t-5.0048\t-2.0272\t2.6678\t-0.5445\t2.7349\t1.9569\n+2.5823\t-7.5935\t2.0663\t0.1052\t1.8888\t3.5327\t2.8774\n+-2.5822\t-2.1414\t-2.1563\t3.1156\t-2.0672\t-0.7239\t-2.1677\n+-1.2405\t-3.6815\t-2.5594\t1.7052\t-0.7032\t1.3623\t1.5195\n+-2.8369\t-5.1205\t-4.5254\t-0.1156\t-0.6598\t4.1633\t0.1587\n+0.3149\t-6.2694\t-2.0587\t-0.3757\t0.1556\t3.2380\t2.4606\n+2.0357\t-3.8799\t4.1492\t4.3973\t-0.1287\t-0.6609\t-2.9551\n+1.4539\t-5.0928\t-1.1201\t1.5114\t1.4226\t3.0672\t1.1131\n+0.0900\t-4.8785\t0.4034\t1.7989\t1.0459\t2.5805\t-0.6281\n+0.0903\t-5.5698\t2.3322\t-1.8054\t-0.3871\t-1.4925\t1.4869\n+-3.2787\t-0.9351\t-3.4811\t2.8220\t-2.2307\t-1.9613\t-0.5324\n+-0.8901\t-3.3226\t-2.1998\t-3.3552\t-0.2246\t-0.9037\t0.3637\n'

diff -r 1ae5dfd5ac17 -r e5a5ad882f1f test-data/pca_incremental_output.dat
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/pca_incremental_output.dat Fri Oct 02 08:41:16 2020 +0000

diff -r 1ae5dfd5ac17 -r e5a5ad882f1f test-data/pca_input.dat
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/pca_input.dat Fri Oct 02 08:41:16 2020 +0000

b'@@ -0,0 +1,300 @@\n+9.579515262220434924e-01\t3.726315038026500881e-02\t1.192922318396479886e+00\t2.208390853256675612e+00\t1.545465138214503487e+00\t6.587709093437858598e+00\t2.676346016926679283e+00\t2.002623182927643519e+00\t1.960111203222609788e+00\t1.244000891424809074e-01\n+5.456295681254983432e-01\t3.130646354641937745e-01\t6.007098680445335681e+00\t3.644816120915847169e+00\t1.043692024581632793e+00\t1.970255599020762194e+00\t7.768759398827200791e-01\t6.435887304171391543e-01\t4.933655623778216537e+00\t5.543893932919085055e-01\n+9.341619128268041639e-02\t2.558875163847860179e-01\t3.752555601842988420e+00\t5.559464534602225783e+00\t1.010576057771932490e+00\t3.077425253345768663e+00\t6.807691255479467962e+00\t2.571623094724099445e+00\t3.153422029415700933e+00\t3.550137612924495478e-01\n+1.471186662367064413e-01\t4.878675188546680030e-01\t1.721359340060558907e+00\t4.167324499252111458e+00\t1.985766726491912326e+00\t5.316541920919662267e+00\t2.962330081397085202e+00\t6.305674360296442682e-02\t1.008632361074792705e+00\t1.954028793571292999e-01\n+4.517113041288302044e-01\t2.082857695479499172e-01\t2.670306166999409037e+00\t3.583860843014433861e+00\t3.162463432948562581e+00\t7.681858694197329029e+00\t1.942922465406477395e+00\t1.098113345375552274e+00\t3.412374063138972069e+00\t4.177369511025994520e-01\n+7.303789721527453871e-02\t1.033872090825091461e-01\t1.795276419298532655e+00\t5.719768891948289635e+00\t2.977579113876869243e+00\t7.844204854679616368e+00\t3.384744044988120759e+00\t2.998214211517472805e+00\t4.270749911114063657e+00\t4.257092154152972707e-01\n+6.359175475607969918e-02\t1.242103944058722265e-01\t4.586547825302377923e+00\t6.614372405184473891e+00\t1.923730124171568079e+00\t7.681919225138223339e+00\t2.793831391806054665e+00\t1.406817959154060160e+00\t4.716223047352296582e+00\t6.211888780251716424e-01\n+9.886982415066914998e-01\t4.584180816802013725e-02\t2.793304094637673707e+00\t1.871823089629541581e+00\t2.607924236602056745e+00\t9.206004712207825236e+00\t4.623226894276893928e-01\t2.966776892612695615e+00\t1.485603429563761679e+00\t4.654181765444357355e-01\n+1.741783097973695904e-01\t2.446343910749277373e-01\t2.534641383481000876e+00\t4.584056834431557093e+00\t2.890133078107056441e+00\t2.823965747627366518e+00\t3.034991597984873835e+00\t6.600338090755860643e-01\t3.752675891901568583e+00\t2.970984388064664694e-01\n+4.690204907875814566e-01\t2.929759132721354575e-02\t3.548495454913231484e+00\t4.482718753445549709e+00\t3.203674397180960920e+00\t8.065801814409903514e+00\t3.773297073513870004e+00\t2.113193009064737282e+00\t4.579511767735440664e+00\t4.024397631591818403e-01\n+6.941135206286030979e-03\t2.133769823942091026e-01\t6.135694255460425239e+00\t5.395845311332483352e-01\t1.504596129252289138e-01\t9.253872174123642935e-01\t4.483882842463830620e+00\t2.321382684831085008e+00\t2.576937740611303873e+00\t1.109827593740932983e-01\n+2.746007390787119640e-03\t6.638140727681796083e-02\t4.108407001279307247e-01\t3.212637467080699416e+00\t4.920639575099698959e-01\t4.018583101004429281e+00\t6.796866753550522056e+00\t1.316040638035593568e+00\t2.620935479341985896e+00\t2.976887894006831070e-01\n+3.557722260573822348e-01\t3.727028444011896702e-01\t3.811343797909652054e+00\t1.715026071489426762e+00\t5.294113011251582179e-01\t5.980858755297242979e+00\t5.404241675653790544e+00\t1.825392885196229997e+00\t2.835734218533411788e+00\t3.200816860194626301e-01\n+3.642510923301112147e-01\t7.309428690756680780e-03\t3.666945761684001326e+00\t2.430979500086832612e+00\t3.031996394197797429e+00\t2.708093900045675184e+00\t7.623775896209878944e-01\t7.865319376558289610e-01\t4.100162854521766320e+00\t8.307551984431076342e-01\n+9.927215581748555229e-01\t4.537144790675278760e-01\t5.145060290158723681e+00\t2.151991198713361086e+00\t4.862387339994040936e-01\t2.589672936803951053e+00\t3.398039583724480561e+00\t2.809787771375323651e+00\t8.864381880832911120e-01\t3.331137683083518208e-01\n+5.057807499542814611e-01\t1.402717130943404999e-01\t1.883175574051066725e+00\t4.122193241585520695e+00\t1.035989381539633492e+00\t5.670773882751129591e+00\t3.687442345139384958e+00\t1.684532121504235480e+00\t4.6421085696735'..b'1774e+00\t5.577399746499002831e+00\t3.951771200670569417e+00\t5.006730198987506819e-01\t3.596816929922009187e+00\t4.994925384211443831e-01\t4.413151350909869208e+00\t1.418601174288871114e+00\t4.839712146933547565e+00\t9.760601828982439221e-01\n+1.878213562249231749e+00\t4.684555617152866169e+00\t3.889299363513806895e+00\t2.336972704101780707e-02\t4.196904367361877775e+00\t1.636484945202322683e+00\t6.120210824336769662e+00\t1.961635110777701918e+00\t9.569470113865142125e+00\t2.306199899979174406e-01\n+3.431803129291879362e+00\t4.012460279071989433e+00\t3.786995576138590280e+00\t3.401138113223747261e-01\t3.171776225702972241e+00\t5.533791211625698203e-01\t4.380475363051796300e+00\t2.758179724465671612e+00\t8.238428864941681695e+00\t1.611340397700082860e-01\n+2.349694539920080150e+00\t3.425362999949447929e+00\t7.467879539582895632e-01\t1.309946362139290388e-01\t5.805916871698890702e-01\t1.657140208444111584e+00\t2.281415527558649625e+00\t1.158152241249966297e+00\t4.945420862933350925e+00\t7.787419149878671565e-02\n+2.871323242818877297e+00\t6.534521291113140506e+00\t3.096514924644943711e+00\t6.667111185354958058e-01\t4.581752374807475547e+00\t4.565652293776831794e-01\t6.933935392164753964e+00\t7.018283743141698894e-01\t4.265168364923495936e+00\t6.901545552296244335e-01\n+4.035690704229409675e+00\t8.932606707872219332e+00\t2.440117375879147676e+00\t1.749555891357814641e-01\t3.388836934377787546e+00\t1.096540733110390020e+00\t4.167898589768252116e+00\t1.510982178698893286e+00\t9.444730460473605760e+00\t1.685190174932924556e-01\n+1.895368854776446899e-01\t8.111771833719306768e-01\t1.496918109897968030e+00\t8.739513189132178672e-01\t3.271337369168346054e+00\t7.030233822128264531e-01\t6.401423581208871560e+00\t1.029249503237427366e+00\t2.009554833626514103e+00\t6.565754492988090663e-01\n+1.951751457247066224e+00\t5.044712160044664273e+00\t3.421432883480826970e+00\t8.109581787816579901e-01\t1.128731846702503816e+00\t1.209060606591956688e+00\t5.696978360178965417e+00\t1.330520244258292406e+00\t2.811362781860978100e+00\t4.875439923021647193e-01\n+7.946496095974958651e-01\t7.959850102243462011e+00\t8.886633323027690601e-01\t8.912678301211978127e-01\t1.506339073727302580e+00\t1.772468056111744072e+00\t5.209003007333696367e+00\t1.910008906957938679e+00\t6.469615179120823401e-01\t4.738444478905338153e-01\n+2.923037361500433029e+00\t8.570876002749072242e+00\t2.708321601975356430e+00\t3.282691449572501252e-01\t1.618103487581618039e+00\t7.910655433987572316e-01\t4.227704764846127006e+00\t1.475926172111246215e+00\t4.356475937759435091e+00\t6.465232347181339989e-01\n+2.522665440307211071e+00\t1.963912550509897548e-01\t1.722541801969912356e-02\t7.082969529076817983e-01\t4.976037482905154796e+00\t2.468844590379837278e-02\t6.706997326725380404e+00\t1.309674497144936556e+00\t9.860787708680341268e+00\t8.357747879146570913e-02\n+4.255818572678702338e+00\t6.744878797873571585e+00\t1.760033311394217925e+00\t3.676055726983046279e-01\t4.092141947481376718e+00\t1.612470654985766583e+00\t5.778498425542084149e+00\t1.079514954339773070e+00\t5.568696898336217060e+00\t8.545812171197980645e-01\n+2.446430878144840282e+00\t5.234567351584125561e+00\t5.715867278950135244e-01\t7.003532329827356628e-01\t4.568505639054738054e+00\t1.943174193938479233e+00\t5.764774523003604934e+00\t1.937713945979894881e+00\t6.298501537697791086e+00\t9.026276578818063223e-01\n+1.273163398740040364e+00\t4.162415703791141119e+00\t3.455865592048522394e+00\t3.656764736071405064e-02\t1.954721520949571190e+00\t2.734474567634836983e-01\t8.281588142887611470e-01\t4.484584054747960957e-01\t7.652386767723299954e+00\t6.708336181638869800e-01\n+3.272573882698126546e-01\t2.771858331744477821e-01\t3.650874191969583293e+00\t8.313793690203402642e-01\t4.721314279438468375e+00\t1.073305358961462286e+00\t5.882774132732964567e+00\t2.199287336285580263e+00\t3.798152586004966969e-01\t5.333129895506141249e-01\n+2.307814819672060480e+00\t4.104095493932964800e+00\t2.489576320635186413e+00\t4.496836765063628727e-01\t4.578631912903595946e+00\t1.329946843468508222e+00\t1.683934112573501896e-01\t7.002919109156724442e-02\t2.471193668340454508e+00\t5.351430311502515247e-01\n'

diff -r 1ae5dfd5ac17 -r e5a5ad882f1f test-data/pca_input_with_headers.dat
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/pca_input_with_headers.dat Fri Oct 02 08:41:16 2020 +0000

b'@@ -0,0 +1,301 @@\n+col_1\tcol_2\tcol_3\tcol_4\tcol_5\tcol_6\tcol_7\tcol_8\tcol_9\tcol_10\n+9.579515262220434924e-01\t3.726315038026500881e-02\t1.192922318396479886e+00\t2.208390853256675612e+00\t1.545465138214503487e+00\t6.587709093437858598e+00\t2.676346016926679283e+00\t2.002623182927643519e+00\t1.960111203222609788e+00\t1.244000891424809074e-01\n+5.456295681254983432e-01\t3.130646354641937745e-01\t6.007098680445335681e+00\t3.644816120915847169e+00\t1.043692024581632793e+00\t1.970255599020762194e+00\t7.768759398827200791e-01\t6.435887304171391543e-01\t4.933655623778216537e+00\t5.543893932919085055e-01\n+9.341619128268041639e-02\t2.558875163847860179e-01\t3.752555601842988420e+00\t5.559464534602225783e+00\t1.010576057771932490e+00\t3.077425253345768663e+00\t6.807691255479467962e+00\t2.571623094724099445e+00\t3.153422029415700933e+00\t3.550137612924495478e-01\n+1.471186662367064413e-01\t4.878675188546680030e-01\t1.721359340060558907e+00\t4.167324499252111458e+00\t1.985766726491912326e+00\t5.316541920919662267e+00\t2.962330081397085202e+00\t6.305674360296442682e-02\t1.008632361074792705e+00\t1.954028793571292999e-01\n+4.517113041288302044e-01\t2.082857695479499172e-01\t2.670306166999409037e+00\t3.583860843014433861e+00\t3.162463432948562581e+00\t7.681858694197329029e+00\t1.942922465406477395e+00\t1.098113345375552274e+00\t3.412374063138972069e+00\t4.177369511025994520e-01\n+7.303789721527453871e-02\t1.033872090825091461e-01\t1.795276419298532655e+00\t5.719768891948289635e+00\t2.977579113876869243e+00\t7.844204854679616368e+00\t3.384744044988120759e+00\t2.998214211517472805e+00\t4.270749911114063657e+00\t4.257092154152972707e-01\n+6.359175475607969918e-02\t1.242103944058722265e-01\t4.586547825302377923e+00\t6.614372405184473891e+00\t1.923730124171568079e+00\t7.681919225138223339e+00\t2.793831391806054665e+00\t1.406817959154060160e+00\t4.716223047352296582e+00\t6.211888780251716424e-01\n+9.886982415066914998e-01\t4.584180816802013725e-02\t2.793304094637673707e+00\t1.871823089629541581e+00\t2.607924236602056745e+00\t9.206004712207825236e+00\t4.623226894276893928e-01\t2.966776892612695615e+00\t1.485603429563761679e+00\t4.654181765444357355e-01\n+1.741783097973695904e-01\t2.446343910749277373e-01\t2.534641383481000876e+00\t4.584056834431557093e+00\t2.890133078107056441e+00\t2.823965747627366518e+00\t3.034991597984873835e+00\t6.600338090755860643e-01\t3.752675891901568583e+00\t2.970984388064664694e-01\n+4.690204907875814566e-01\t2.929759132721354575e-02\t3.548495454913231484e+00\t4.482718753445549709e+00\t3.203674397180960920e+00\t8.065801814409903514e+00\t3.773297073513870004e+00\t2.113193009064737282e+00\t4.579511767735440664e+00\t4.024397631591818403e-01\n+6.941135206286030979e-03\t2.133769823942091026e-01\t6.135694255460425239e+00\t5.395845311332483352e-01\t1.504596129252289138e-01\t9.253872174123642935e-01\t4.483882842463830620e+00\t2.321382684831085008e+00\t2.576937740611303873e+00\t1.109827593740932983e-01\n+2.746007390787119640e-03\t6.638140727681796083e-02\t4.108407001279307247e-01\t3.212637467080699416e+00\t4.920639575099698959e-01\t4.018583101004429281e+00\t6.796866753550522056e+00\t1.316040638035593568e+00\t2.620935479341985896e+00\t2.976887894006831070e-01\n+3.557722260573822348e-01\t3.727028444011896702e-01\t3.811343797909652054e+00\t1.715026071489426762e+00\t5.294113011251582179e-01\t5.980858755297242979e+00\t5.404241675653790544e+00\t1.825392885196229997e+00\t2.835734218533411788e+00\t3.200816860194626301e-01\n+3.642510923301112147e-01\t7.309428690756680780e-03\t3.666945761684001326e+00\t2.430979500086832612e+00\t3.031996394197797429e+00\t2.708093900045675184e+00\t7.623775896209878944e-01\t7.865319376558289610e-01\t4.100162854521766320e+00\t8.307551984431076342e-01\n+9.927215581748555229e-01\t4.537144790675278760e-01\t5.145060290158723681e+00\t2.151991198713361086e+00\t4.862387339994040936e-01\t2.589672936803951053e+00\t3.398039583724480561e+00\t2.809787771375323651e+00\t8.864381880832911120e-01\t3.331137683083518208e-01\n+5.057807499542814611e-01\t1.402717130943404999e-01\t1.883175574051066725e+00\t4.122193241585520695e+00\t1.035989381539633492e+00\t5.670773882751129591e+00\t3.6'..b'1774e+00\t5.577399746499002831e+00\t3.951771200670569417e+00\t5.006730198987506819e-01\t3.596816929922009187e+00\t4.994925384211443831e-01\t4.413151350909869208e+00\t1.418601174288871114e+00\t4.839712146933547565e+00\t9.760601828982439221e-01\n+1.878213562249231749e+00\t4.684555617152866169e+00\t3.889299363513806895e+00\t2.336972704101780707e-02\t4.196904367361877775e+00\t1.636484945202322683e+00\t6.120210824336769662e+00\t1.961635110777701918e+00\t9.569470113865142125e+00\t2.306199899979174406e-01\n+3.431803129291879362e+00\t4.012460279071989433e+00\t3.786995576138590280e+00\t3.401138113223747261e-01\t3.171776225702972241e+00\t5.533791211625698203e-01\t4.380475363051796300e+00\t2.758179724465671612e+00\t8.238428864941681695e+00\t1.611340397700082860e-01\n+2.349694539920080150e+00\t3.425362999949447929e+00\t7.467879539582895632e-01\t1.309946362139290388e-01\t5.805916871698890702e-01\t1.657140208444111584e+00\t2.281415527558649625e+00\t1.158152241249966297e+00\t4.945420862933350925e+00\t7.787419149878671565e-02\n+2.871323242818877297e+00\t6.534521291113140506e+00\t3.096514924644943711e+00\t6.667111185354958058e-01\t4.581752374807475547e+00\t4.565652293776831794e-01\t6.933935392164753964e+00\t7.018283743141698894e-01\t4.265168364923495936e+00\t6.901545552296244335e-01\n+4.035690704229409675e+00\t8.932606707872219332e+00\t2.440117375879147676e+00\t1.749555891357814641e-01\t3.388836934377787546e+00\t1.096540733110390020e+00\t4.167898589768252116e+00\t1.510982178698893286e+00\t9.444730460473605760e+00\t1.685190174932924556e-01\n+1.895368854776446899e-01\t8.111771833719306768e-01\t1.496918109897968030e+00\t8.739513189132178672e-01\t3.271337369168346054e+00\t7.030233822128264531e-01\t6.401423581208871560e+00\t1.029249503237427366e+00\t2.009554833626514103e+00\t6.565754492988090663e-01\n+1.951751457247066224e+00\t5.044712160044664273e+00\t3.421432883480826970e+00\t8.109581787816579901e-01\t1.128731846702503816e+00\t1.209060606591956688e+00\t5.696978360178965417e+00\t1.330520244258292406e+00\t2.811362781860978100e+00\t4.875439923021647193e-01\n+7.946496095974958651e-01\t7.959850102243462011e+00\t8.886633323027690601e-01\t8.912678301211978127e-01\t1.506339073727302580e+00\t1.772468056111744072e+00\t5.209003007333696367e+00\t1.910008906957938679e+00\t6.469615179120823401e-01\t4.738444478905338153e-01\n+2.923037361500433029e+00\t8.570876002749072242e+00\t2.708321601975356430e+00\t3.282691449572501252e-01\t1.618103487581618039e+00\t7.910655433987572316e-01\t4.227704764846127006e+00\t1.475926172111246215e+00\t4.356475937759435091e+00\t6.465232347181339989e-01\n+2.522665440307211071e+00\t1.963912550509897548e-01\t1.722541801969912356e-02\t7.082969529076817983e-01\t4.976037482905154796e+00\t2.468844590379837278e-02\t6.706997326725380404e+00\t1.309674497144936556e+00\t9.860787708680341268e+00\t8.357747879146570913e-02\n+4.255818572678702338e+00\t6.744878797873571585e+00\t1.760033311394217925e+00\t3.676055726983046279e-01\t4.092141947481376718e+00\t1.612470654985766583e+00\t5.778498425542084149e+00\t1.079514954339773070e+00\t5.568696898336217060e+00\t8.545812171197980645e-01\n+2.446430878144840282e+00\t5.234567351584125561e+00\t5.715867278950135244e-01\t7.003532329827356628e-01\t4.568505639054738054e+00\t1.943174193938479233e+00\t5.764774523003604934e+00\t1.937713945979894881e+00\t6.298501537697791086e+00\t9.026276578818063223e-01\n+1.273163398740040364e+00\t4.162415703791141119e+00\t3.455865592048522394e+00\t3.656764736071405064e-02\t1.954721520949571190e+00\t2.734474567634836983e-01\t8.281588142887611470e-01\t4.484584054747960957e-01\t7.652386767723299954e+00\t6.708336181638869800e-01\n+3.272573882698126546e-01\t2.771858331744477821e-01\t3.650874191969583293e+00\t8.313793690203402642e-01\t4.721314279438468375e+00\t1.073305358961462286e+00\t5.882774132732964567e+00\t2.199287336285580263e+00\t3.798152586004966969e-01\t5.333129895506141249e-01\n+2.307814819672060480e+00\t4.104095493932964800e+00\t2.489576320635186413e+00\t4.496836765063628727e-01\t4.578631912903595946e+00\t1.329946843468508222e+00\t1.683934112573501896e-01\t7.002919109156724442e-02\t2.471193668340454508e+00\t5.351430311502515247e-01\n'