File openbabel-3.1.1-std-bind2nd.patch of Package openbabel

github.com/openbabel/openbabel/pull/2569
github.com/openbabel/openbabel/commit/f827a72


From f33412937390b2b0d0c0e91a1ed1274e1dd24157 Mon Sep 17 00:00:00 2001
From: Eisuke Kawashima <e-kwsm@users.noreply.github.com>
Date: Mon, 30 Jan 2023 07:40:37 +0900
Subject: [PATCH] refactor: remove deprecated std::bind2nd

c.f. #2001
---
 src/confsearch.cpp         | 4 ++--
 src/formats/fchkformat.cpp | 8 ++++----
 src/formats/vaspformat.cpp | 4 ++--
 3 files changed, 8 insertions(+), 8 deletions(-)

diff --git a/src/confsearch.cpp b/src/confsearch.cpp
index 5e6cc2d1e8..5f85a8ff2f 100644
--- a/src/confsearch.cpp
+++ b/src/confsearch.cpp
@@ -131,7 +131,7 @@ namespace OpenBabel
 
     const double arr[] = {3.0, 2.0, 1.5, 1.0, 0.5, 0.25};
     std::vector<double> vec (arr, arr + sizeof(arr) / sizeof(arr[0]) );
-    vec.erase(std::remove_if(vec.begin(), vec.end(), std::bind2nd(std::less<double>(), (cutoff + 0.1) )), vec.end());
+    vec.erase(std::remove_if(vec.begin(), vec.end(), [=](double v) { return v < cutoff + 0.1; }), vec.end());
     vec.push_back(cutoff);
 
     levels = vec;
@@ -443,7 +443,7 @@ int OBForceField::DiverseConfGen(double rmsd, unsigned int nconfs, double energy
     UpdateConformersFromTree(&_mol, _energies, &divposes, verbose);
 
     // Add back the energy offset
-    transform(_energies.begin(), _energies.end(), _energies.begin(), bind2nd(std::plus<double>(), energy_offset));
+    transform(_energies.begin(), _energies.end(), _energies.begin(), [=](double e) { return e + energy_offset; });
 
     // Clean up
     delete [] store_initial;
diff --git a/src/formats/fchkformat.cpp b/src/formats/fchkformat.cpp
index 886e073623..cf334f9a86 100644
--- a/src/formats/fchkformat.cpp
+++ b/src/formats/fchkformat.cpp
@@ -665,16 +665,16 @@ namespace OpenBabel
            no atom numbers < 0 or > Natoms */
         if (NBond.end() != find_if(NBond.begin(),
                                    NBond.end(),
-                                   bind2nd(less_equal<int>(), 0)) ||
+                                   [](int i) { return i <= 0; }) ||
             NBond.end() != find_if(NBond.begin(),
                                    NBond.end(),
-                                   bind2nd(greater<int>(), MxBond)) ||
+                                   [=](int i) { return i > MxBond; }) ||
             IBond.end() != find_if(IBond.begin(),
                                    IBond.end(),
-                                   bind2nd(less<int>(), 0)) ||
+                                   [](int i) { return i < 0; }) ||
             IBond.end() != find_if(IBond.begin(),
                                    IBond.end(),
-                                   bind2nd(greater<int>(), Natoms)))
+                                   [=](int i) { return i > Natoms; }))
           {
             error_msg << "Invalid connectivity : check the \"NBond\" and/or"
                       << " \"IBond\" section(s).";
diff --git a/src/formats/vaspformat.cpp b/src/formats/vaspformat.cpp
index 1c8aaa6d4f..376b533a12 100644
--- a/src/formats/vaspformat.cpp
+++ b/src/formats/vaspformat.cpp
@@ -534,7 +534,7 @@ namespace OpenBabel {
             for (size_t natom = 0; natom < pmol->NumAtoms(); ++natom) {
               const vector3 dxyz = currXyz[natom] - prevXyz[natom];
               vector3::const_iterator iter = std::find_if(dxyz.begin(), dxyz.end(),
-                      std::bind2nd(std::not_equal_to<double>(), 0.0));
+                  [](double v) { return v != 0.0; });
               if (iter != dxyz.end()) dipGrad[natom].SetRow(iter - dxyz.begin(),
                                                             (currDm - prevDm) / *iter);
             }
@@ -588,7 +588,7 @@ namespace OpenBabel {
       if (max != 0.0) {
         // Normalize
         std::transform(Intensities.begin(), Intensities.end(), Intensities.begin(),
-                       std::bind2nd(std::divides<double>(), max / 100.0));
+                       [=](double v) { return v / (max / 100.0); });
       } else {
         Intensities.clear();
       }