Declaring const methods needed by CdSalcList.

ashutoshvt · Jan 18, 2018 · 654cf4b · 654cf4b
1 parent 11247db
commit 654cf4b
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Showing 4 changed files with 12 additions and 12 deletions.
diff --git a/psi4/src/export_mints.cc b/psi4/src/export_mints.cc
@@ -498,8 +498,8 @@ void export_mints(py::module& m)
              "Is the deriv_density already backtransformed? Default is False", py::arg("val") = false)
         .def("compute", &Deriv::compute, "Compute the gradient");
 
-    typedef SharedMatrix (MatrixFactory::*create_shared_matrix)();
-    typedef SharedMatrix (MatrixFactory::*create_shared_matrix_name)(const std::string&);
+    typedef SharedMatrix (MatrixFactory::*create_shared_matrix)() const;
+    typedef SharedMatrix (MatrixFactory::*create_shared_matrix_name)(const std::string&) const;
 //Something here is wrong. These will not work with py::args defined, not sure why
     py::class_<MatrixFactory, std::shared_ptr<MatrixFactory>>(m, "MatrixFactory", "Creates Matrix objects")
         .def("create_matrix", create_shared_matrix(&MatrixFactory::create_shared_matrix),

diff --git a/psi4/src/psi4/libmints/factory.cc b/psi4/src/psi4/libmints/factory.cc
@@ -109,7 +109,7 @@ int MatrixFactory::norb() const { return nso_; }
 Matrix* MatrixFactory::create_matrix(int symmetry) { return new Matrix(nirrep_, rowspi_, colspi_, symmetry); }
 
 /// Returns a new Matrix object with default dimensions
-SharedMatrix MatrixFactory::create_shared_matrix() { return std::make_shared<Matrix>(nirrep_, rowspi_, colspi_); }
+SharedMatrix MatrixFactory::create_shared_matrix() const { return std::make_shared<Matrix>(nirrep_, rowspi_, colspi_); }
 
 void MatrixFactory::create_matrix(Matrix& mat, int symmetry) { mat.init(nirrep_, rowspi_, colspi_, "", symmetry); }
 
@@ -118,15 +118,15 @@ Matrix* MatrixFactory::create_matrix(std::string name, int symmetry) {
     return new Matrix(name, nirrep_, rowspi_, colspi_, symmetry);
 }
 
-SharedMatrix MatrixFactory::create_shared_matrix(const std::string& name) {
+SharedMatrix MatrixFactory::create_shared_matrix(const std::string& name) const {
     return std::make_shared<Matrix>(name, nirrep_, rowspi_, colspi_);
 }
 
-SharedMatrix MatrixFactory::create_shared_matrix(const std::string& name, int symmetry) {
+SharedMatrix MatrixFactory::create_shared_matrix(const std::string& name, int symmetry) const {
     return std::make_shared<Matrix>(name, nirrep_, rowspi_, colspi_, symmetry);
 }
 
-SharedMatrix MatrixFactory::create_shared_matrix(const std::string& name, int rows, int cols) {
+SharedMatrix MatrixFactory::create_shared_matrix(const std::string& name, int rows, int cols) const {
     return std::make_shared<Matrix>(name, rows, cols);
 }
 

diff --git a/psi4/src/psi4/libmints/factory.h b/psi4/src/psi4/libmints/factory.h
@@ -93,18 +93,18 @@ class MatrixFactory {
     Matrix * create_matrix(int symmetry=0);
 
     /// Returns a new Matrix object with default dimensions
-    SharedMatrix create_shared_matrix();
+    SharedMatrix create_shared_matrix() const;
 
     void create_matrix(Matrix& mat, int symmetry=0);
 
     /// Returns a new Matrix object named name with default dimensions
     Matrix * create_matrix(std::string name, int symmetry=0);
 
-    SharedMatrix create_shared_matrix(const std::string& name);
+    SharedMatrix create_shared_matrix(const std::string& name) const;
 
-    SharedMatrix create_shared_matrix(const std::string& name, int symmetry);
+    SharedMatrix create_shared_matrix(const std::string& name, int symmetry) const;
 
-    SharedMatrix create_shared_matrix(const std::string& name, int rows, int cols);
+    SharedMatrix create_shared_matrix(const std::string& name, int rows, int cols) const;
 
     void create_matrix(Matrix& mat, std::string name, int symmetry=0);
 

diff --git a/psi4/src/psi4/libmints/pointgrp.h b/psi4/src/psi4/libmints/pointgrp.h
@@ -524,10 +524,10 @@ class CharacterTable
     const std::string& symbol() const
     { return symb; }
     /// Returns the i'th irrep.
-    IrreducibleRepresentation& gamma(int i)
+    IrreducibleRepresentation& gamma(int i) const
     { return gamma_[i]; }
     /// Returns the i'th symmetry operation.
-    SymmetryOperation& symm_operation(int i)
+    SymmetryOperation& symm_operation(int i) const
     { return symop[i]; }
 
     /** Cn, Cnh, Sn, T, and Th point groups have complex representations.