Test the new phi output

Testing the phi ouput scheme

src/feature_creation/feature_space/FeatureSpace.cpp

@@ -154,6 +154,13 @@ FeatureSpace::FeatureSpace(InputParser inputs):
 
     double start = omp_get_wtime();
     generate_feature_space(_phi, _start_rung, _prop_train);
+    _n_feat = _phi.size();
+
+    if(_phi_out_file.size() > 0)
+    {
+        output_phi();
+    }
+
     _mpi_comm->barrier();
     double duration = omp_get_wtime() - start;
     if(_mpi_comm->rank() == 0)
@@ -779,15 +786,6 @@ void FeatureSpace::generate_feature_space(
         }
         #endif
     }
-    if(!reparam)
-    {
-        _n_feat = feat_set.size();
-    }
-
-    if(_phi_out_file.size() > 0)
-    {
-        output_phi();
-    }
 }
 
 void FeatureSpace::generate_and_project(std::shared_ptr<LossFunction> loss, std::vector<node_ptr>& phi_sel, std::vector<double>& scores_sel)
@@ -1213,6 +1211,7 @@ void FeatureSpace::remove_feature(const int ind)
     }
 
     _phi.erase(_phi.begin() + ind);
+    --_n_feat;
 }
 
 void FeatureSpace::output_phi()

src/feature_creation/node/operator_nodes/allowed_operator_nodes/cbrt/cube_root.cpp

@@ -95,12 +95,6 @@ CbrtNode::CbrtNode(const node_ptr feat, const unsigned long int feat_ind, const
         throw InvalidFeatureException();
     }
 
-    double* val_ptr = feat->value_ptr(rung() + 2);
-    if(*std::min_element(val_ptr, val_ptr + _n_samp) < 0.0)
-    {
-        throw InvalidFeatureException();
-    }
-
     set_value();
 
     // Check if the feature is NaN, greater than the allowed max of less than the allowed min

src/feature_creation/node/operator_nodes/allowed_operator_nodes/div/divide.cpp

@@ -63,7 +63,7 @@ void generateDivNode(std::vector<node_ptr>& feat_list, const node_ptr feat_1, co
     double div_mult_tot_first = div_mult_leaves.begin()->second;
     if(
         (std::abs(div_mult_tot_first) != 1.0) &&
-        std::all_of(div_mult_leaves.begin(), div_mult_leaves.end(), [&div_mult_tot_first](auto el){return el.second == div_mult_tot_first;})
+        std::all_of(div_mult_leaves.begin(), div_mult_leaves.end(), [&div_mult_tot_first](auto el){return std::abs(el.second) == div_mult_tot_first;})
     )
     {
         return;

src/feature_creation/node/utils.cpp

@@ -391,7 +391,9 @@ std::vector<node_ptr> str2node::phi_from_file(const std::string filename, const
     std::ifstream file_stream;
     file_stream.open(filename, std::ios::in);
 
-    int numLines = 0;
+    int num_lines = 0;
+    int n_prim_feat = 0;
+    int n_invalid_feat = 0;
     std::string line;
 
     std::vector<node_ptr> phi;
@@ -399,7 +401,7 @@ std::vector<node_ptr> str2node::phi_from_file(const std::string filename, const
 
     while(std::getline(file_stream, line))
     {
-        ++numLines;
+        ++num_lines;
         if(line[0] == '#')
         {
             continue;
@@ -408,18 +410,22 @@ std::vector<node_ptr> str2node::phi_from_file(const std::string filename, const
         {
             node_ptr feat = postfix2node(line, phi_0, feat_ind);
             if(feat->type() == NODE_TYPE::FEAT)
+            {
+                ++n_prim_feat;
                 continue;
+            }
             phi.push_back(feat);
             phi.back()->set_selected(false);
             ++feat_ind;
         }
         catch(const InvalidFeatureException& e)
         {
+            ++n_invalid_feat;
             // Do Nothing
         }
     }
     file_stream.close();
-    if(numLines < 1)
+    if(num_lines < 1)
     {
         throw std::logic_error("File, " + filename + " not present");
     }

src/python/py_binding_cpp_def/bindings_docstring_keyed.cpp

@@ -231,6 +231,7 @@ void sisso::registerInputs()
         .add_property("fix_intercept", &InputParser::fix_intercept, &InputParser::set_fix_intercept, "@DocString_inputs_fix_intercept@")
         .add_property("global_param_opt", &InputParser::global_param_opt, &InputParser::set_global_param_opt, "@DocString_inputs_global_param_opt@")
         .add_property("reparam_residual", &InputParser::reparam_residual, &InputParser::set_reparam_residual, "@DocString_inputs_reparam_residual@")
+        .add_property("phi_out_file", &InputParser::phi_out_file, &InputParser::set_phi_out_file, "@DocString_inputs_phi_out_file@")
     ;
 }
 
@@ -285,6 +286,7 @@ void sisso::feature_creation::registerFeatureSpace()
         .def("feat_in_phi", &FeatureSpace::feat_in_phi, (arg("self"), arg("ind")), "@DocString_feat_space_feat_in_phi@")
         .def("remove_feature", &FeatureSpace::remove_feature, (arg("self"), arg("ind")), "@DocString_feat_space_remove_feature@")
         .def("get_feature", &FeatureSpace::get_feature, (arg("self"), arg("ind")), "@DocString_feat_space_get_feature@")
+        .def("output_phi", &FeatureSpace::output_phi, (arg("self")), "@DocString_feat_space_output_phi@")
         .add_property("phi_selected", &FeatureSpace::phi_selected_py, "@DocString_feat_space_phi_selected_py@")
         .add_property("phi0", &FeatureSpace::phi0_py, "@DocString_feat_space_phi0_py@")
         .add_property("phi", &FeatureSpace::phi_py, "@DocString_feat_space_phi_py@")

src/python/py_binding_cpp_def/feature_creation/FeatureSpace.cpp

@@ -56,6 +56,7 @@ FeatureSpace::FeatureSpace(
     mpi_reduce_op::set_op(_project_type, _cross_cor_max, _n_sis_select);
 
     std::vector<node_ptr> phi_temp = str2node::phi_from_file(feature_file, _phi_0);
+
     phi_temp.insert(phi_temp.begin(), _phi_0.begin(), _phi_0.end());
 
     _n_feat = phi_temp.size();

tests/exec_test/default/sisso.json

@@ -11,5 +11,5 @@
     "n_models_store": 1,
     "leave_out_inds": [0, 1, 2, 60, 61],
     "fix_intercept": false,
-    "phi_out_file": "feature_space/phi.out"
+    "phi_out_file": "feature_space/phi.txt"
 }

tests/pytest/test_feature_creation/test_feature_space/test_feature_space.py

@@ -22,6 +22,10 @@ from sissopp import (
     initialize_values_arr,
 )
 
+import pathlib
+
+parent = pathlib.Path(__file__).parent.absolute()
+
 
 def test_feature_space():
     task_sizes_train = [90]
@@ -49,6 +53,7 @@ def test_feature_space():
     inputs.calc_type = "regression"
     inputs.max_rung = 2
     inputs.n_sis_select = 10
+    inputs.phi_out_file = "feature_space/phi.txt"
 
     try:
         inputs.n_rung_generate = 2
@@ -81,8 +86,6 @@ def test_feature_space():
     feat_space = FeatureSpace(inputs)
     feat_space.sis(inputs.prop_train)
 
-    shutil.rmtree("feature_space/")
-
     assert feat_space.phi_selected[0].postfix_expr == "1|0|add|sq"
 
     feat_space.sis(list(inputs.prop_train))
@@ -123,6 +126,26 @@ def test_feature_space():
             inputs.max_param_depth = 0
             pass
 
+    feat_space.output_phi()
+    feat_space_2 = FeatureSpace(
+        f"{parent}/feature_space/phi.txt",
+        inputs.phi_0,
+        inputs.prop_train,
+        inputs.task_sizes_train,
+        inputs.calc_type,
+        inputs.n_sis_select,
+        inputs.cross_cor_max,
+    )
+
+    # shutil.rmtree("feature_space/")
+    assert feat_space.n_feat == feat_space_2.n_feat
+
+    feat_space_2.sis(inputs.prop_train)
+    assert (
+        feat_space.phi_selected[0].postfix_expr
+        == feat_space_2.phi_selected[0].postfix_expr
+    )
+
 
 if __name__ == "__main__":
     test_feature_space()