Increase inheritable objects

adcc/__init__.py

@@ -47,7 +47,8 @@
 # This has to be the last set of import
 from .guess import (guess_symmetries, guess_zero, guesses_any, guesses_singlet,
                     guesses_spin_flip, guesses_triplet)
-from .workflow import run_adc
+from .workflow import (run_adc, validate_state_parameters, estimate_n_guesses,
+                       diagonalise_adcmatrix, obtain_guesses_by_inspection)
 from .exceptions import InputError
 
 __all__ = ["run_adc", "InputError", "AdcMatrix", "AdcBlockView",
@@ -63,7 +64,8 @@
            "guess_symmetries", "guesses_spin_flip", "guess_zero", "LazyMp",
            "adc0", "cis", "adc1", "adc2", "adc2x", "adc3",
            "cvs_adc0", "cvs_adc1", "cvs_adc2", "cvs_adc2x", "cvs_adc3",
-           "banner"]
+           "banner", "validate_state_parameters", "estimate_n_guesses",
+           "diagonalise_adcmatrix", "obtain_guesses_by_inspection"]
 
 __version__ = "0.15.17"
 __license__ = "GPL v3"

adcc/workflow.py

@@ -39,7 +39,8 @@
 from .solver.explicit_symmetrisation import (IndexSpinSymmetrisation,
                                              IndexSymmetrisation)
 
-__all__ = ["run_adc"]
+__all__ = ["run_adc", "validate_state_parameters", "estimate_n_guesses",
+           "obtain_guesses_by_inspection", "diagonalise_adcmatrix"]
 
 
 def run_adc(data_or_matrix, n_states=None, kind="any", conv_tol=None,

libadcc/pyiface/export_Tensor.cc

@@ -17,6 +17,7 @@
 // along with adcc. If not, see <http://www.gnu.org/licenses/>.
 //
 
+#include "../AdcMemory.hh"
 #include "../Tensor.hh"
 #include "../exceptions.hh"
 #include "util.hh"
@@ -346,6 +347,13 @@ static py::object Tensor___repr__(const Tensor& self) {
   return Tensor___str__(self);
 }
 
+static ten_ptr init_1d_tensor(const py::int_ len,
+                              std::shared_ptr<const AdcMemory> adcmem_ptr) {
+  // Note, that this function sets up the array without symmetry
+  std::vector<AxisInfo> ax{{"x", len}};
+  return make_tensor(adcmem_ptr, ax);
+}
+
 //
 // Operations with a scalar
 //
@@ -540,6 +548,7 @@ void export_Tensor(py::module& m) {
   m.def("trace", &Tensor_trace_2, "tensor"_a);
   m.def("linear_combination_strict", &linear_combination_strict, "coefficients"_a,
         "tensors"_a);
+  m.def("init_1d_tensor", &init_1d_tensor, "len"_a, "adcmem_ptr"_a);
 }
 
 }  // namespace libadcc