Removed redundant comments for restraints code [ci skip]

Author: akalpokas

corelib/src/libs/SireMM/anglerestraints.cpp

@@ -2,7 +2,7 @@
   *
   *  Sire - Molecular Simulation Framework
   *
-  *  Copyright (C) 2009  Christopher Woods
+  *  Copyright (C) 2025  Christopher Woods
   *
   *  This program is free software; you can redistribute it and/or modify
   *  it under the terms of the GNU General Public License as published by
@@ -98,19 +98,8 @@ AngleRestraint::AngleRestraint(const QList<qint64> &atoms,
     : ConcreteProperty<AngleRestraint, Property>(),
       _theta0(theta0), _ktheta(ktheta)
 {
-    // Need to think here about validating the angle and force constant values
-    // if (atoms.count() != 3)
-    // {
-    //     throw SireError::invalid_arg(QObject::tr(
-    //                                      "Wrong number of inputs for an Angle restraint. You need to "
-    //                                      "provide 3 atoms (%1).")
-    //                                      .arg(atoms.count()),
-    //                                  //  .arg(theta0.count())
-    //                                  //  .arg(ktheta.count()),
-    //                                  CODELOC);
-    // }
-
-    // make sure that we have 3 distinct atoms
+
+    // Make sure that we have 3 distinct atoms
     QSet<qint64> distinct;
     distinct.reserve(3);
 
@@ -120,12 +109,6 @@ AngleRestraint::AngleRestraint(const QList<qint64> &atoms,
             distinct.insert(atom);
     }
 
-    // if (distinct.count() != 3)
-    //     throw SireError::invalid_arg(QObject::tr(
-    //                                      "There is something wrong with the atoms provided. "
-    //                                      "They should all be unique and all greater than or equal to 0."),
-    //                                  CODELOC);
-
     atms = atoms.toVector();
 }
 

corelib/src/libs/SireMM/anglerestraints.h

@@ -2,7 +2,7 @@
   *
   *  Sire - Molecular Simulation Framework
   *
-  *  Copyright (C) 2009  Christopher Woods
+  *  Copyright (C) 2025  Christopher Woods
   *
   *  This program is free software; you can redistribute it and/or modify
   *  it under the terms of the GNU General Public License as published by

corelib/src/libs/SireMM/dihedralrestraints.cpp

@@ -2,7 +2,7 @@
   *
   *  Sire - Molecular Simulation Framework
   *
-  *  Copyright (C) 2009  Christopher Woods
+  *  Copyright (C) 2025  Christopher Woods
   *
   *  This program is free software; you can redistribute it and/or modify
   *  it under the terms of the GNU General Public License as published by
@@ -28,9 +28,9 @@
 #include "dihedralrestraints.h"
 
 #include "SireID/index.h"
-#include "SireUnits/units.h"
 #include "SireStream/datastream.h"
 #include "SireStream/shareddatastream.h"
+#include "SireUnits/units.h"
 
 #include "SireCAS/errors.h"
 
@@ -80,37 +80,24 @@ QDataStream &operator>>(QDataStream &ds, DihedralRestraint &dihrest)
     return ds;
 }
 
-
 /** Null constructor */
 DihedralRestraint::DihedralRestraint()
     : ConcreteProperty<DihedralRestraint, Property>(),
       _phi0(0), _kphi(0)
 {
 }
 
-
 /** Construct a restraint that acts on the angle within the
     four atoms 'atom0', 'atom1', 'atom2' 'atom3' (phi == a(0123)),
     restraining the angle within these atoms */
 DihedralRestraint::DihedralRestraint(const QList<qint64> &atoms,
-                               const SireUnits::Dimension::Angle &phi0,
-                               const SireUnits::Dimension::HarmonicAngleConstant &kphi)
+                                     const SireUnits::Dimension::Angle &phi0,
+                                     const SireUnits::Dimension::HarmonicAngleConstant &kphi)
     : ConcreteProperty<DihedralRestraint, Property>(),
       _phi0(phi0), _kphi(kphi)
 {
-    // Need to think here about validating the angle and force constant values
-    // if (atoms.count() != 3)
-    // {
-    //     throw SireError::invalid_arg(QObject::tr(
-    //                                      "Wrong number of inputs for an Angle restraint. You need to "
-    //                                      "provide 3 atoms (%1).")
-    //                                      .arg(atoms.count()),
-    //                                  //  .arg(phi0.count())
-    //                                  //  .arg(kphi.count()),
-    //                                  CODELOC);
-    // }
-
-    // make sure that we have 3 distinct atoms
+
+    // Make sure that we have 4 distinct atoms
     QSet<qint64> distinct;
     distinct.reserve(4);
 
@@ -120,12 +107,6 @@ DihedralRestraint::DihedralRestraint(const QList<qint64> &atoms,
             distinct.insert(atom);
     }
 
-    // if (distinct.count() != 3)
-    //     throw SireError::invalid_arg(QObject::tr(
-    //                                      "There is something wrong with the atoms provided. "
-    //                                      "They should all be unique and all greater than or equal to 0."),
-    //                                  CODELOC);
-
     atms = atoms.toVector();
 }
 
@@ -301,15 +282,15 @@ DihedralRestraints::DihedralRestraints(const QList<DihedralRestraint> &restraint
 }
 
 DihedralRestraints::DihedralRestraints(const QString &name,
-                                 const DihedralRestraint &restraint)
+                                       const DihedralRestraint &restraint)
     : ConcreteProperty<DihedralRestraints, Restraints>(name)
 {
     if (not restraint.isNull())
         r.append(restraint);
 }
 
 DihedralRestraints::DihedralRestraints(const QString &name,
-                                 const QList<DihedralRestraint> &restraints)
+                                       const QList<DihedralRestraint> &restraints)
     : ConcreteProperty<DihedralRestraints, Restraints>(name)
 {
     for (const auto &restraint : restraints)

corelib/src/libs/SireMM/dihedralrestraints.h

@@ -2,7 +2,7 @@
   *
   *  Sire - Molecular Simulation Framework
   *
-  *  Copyright (C) 2009  Christopher Woods
+  *  Copyright (C) 2025  Christopher Woods
   *
   *  This program is free software; you can redistribute it and/or modify
   *  it under the terms of the GNU General Public License as published by
@@ -50,7 +50,7 @@ SIREMM_EXPORT QDataStream &operator>>(QDataStream &, SireMM::DihedralRestraints
 namespace SireMM
 {
 
-    /** This class represents a single angle restraint between any three
+    /** This class represents a single torsion restraint between any four
      *  atoms in a system
      * @author Christopher Woods
      */