Changes in src/bond.cpp [6ac7ee:ce5ac3]

File:

• src/bond.cpp (modified) (11 diffs)

src/bond.cpp

@@ -14 +14 @@
 bond::bond()
 {
-        leftatom = NULL;
-        rightatom = NULL;
-        previous = NULL;
-        next = NULL;
-        nr = -1;
-        HydrogenBond = 0;
-        BondDegree = 0;
-        Used = white;
-        Cyclic = false;
-        Type = Undetermined;
+  leftatom = NULL;
+  rightatom = NULL;
+  previous = NULL;
+  next = NULL;
+  nr = -1;
+  HydrogenBond = 0;
+  BondDegree = 0;
+  Used = white;
+  Cyclic = false;
+  Type = Undetermined;
 };
 
@@ -34 +34 @@
 bond::bond(atom *left, atom *right, int degree=1, int number=0)
 {
-        leftatom = left;
-        rightatom = right;
-        previous = NULL;
-        next = NULL;
-        HydrogenBond = 0;
-        if ((left != NULL) && (right != NULL)) {
-                if ((left->type != NULL) && (left->type->Z == 1))
-                        HydrogenBond++;
-                if ((right->type != NULL) && (right->type->Z == 1))
-                        HydrogenBond++;
-        }
-        BondDegree = degree;
-        nr = number;
-        Used = white;
-        Cyclic = false;
+  leftatom = left;
+  rightatom = right;
+  previous = NULL;
+  next = NULL;
+  HydrogenBond = 0;
+  if ((left != NULL) && (right != NULL)) {
+    if ((left->type != NULL) && (left->type->Z == 1))
+      HydrogenBond++;
+    if ((right->type != NULL) && (right->type->Z == 1))
+      HydrogenBond++;
+  }
+  BondDegree = degree;
+  nr = number;
+  Used = white;
+  Cyclic = false;
 };
 bond::bond(atom *left, atom *right)
 {
-        leftatom = left;
-        rightatom = right;
-        previous = NULL;
-        next = NULL;
-        HydrogenBond = 0;
-        if ((left != NULL) && (right != NULL)) {
-                if ((left->type != NULL) && (left->type->Z == 1))
-                        HydrogenBond++;
-                if ((right->type != NULL) && (right->type->Z == 1))
-                        HydrogenBond++;
-        }
-        BondDegree = 1;
-        nr = 0;
-        Used = white;
-        Cyclic = false;
+  leftatom = left;
+  rightatom = right;
+  previous = NULL;
+  next = NULL;
+  HydrogenBond = 0;
+  if ((left != NULL) && (right != NULL)) {
+    if ((left->type != NULL) && (left->type->Z == 1))
+      HydrogenBond++;
+    if ((right->type != NULL) && (right->type->Z == 1))
+      HydrogenBond++;
+  }
+  BondDegree = 1;
+  nr = 0;
+  Used = white;
+  Cyclic = false;
 };
 
@@ -73 +73 @@
 bond::~bond()
 {
-        // remove this node from the list structure
-        if (previous != NULL) {
-                previous->next = next;
-        }
-        if (next != NULL) {
-                next->previous = previous;
-        }
+  // remove this node from the list structure
+  if (previous != NULL) {
+    previous->next = next;
+  }
+  if (next != NULL) {
+    next->previous = previous;
+  }
 };
 
-ostream & operator << (ostream &ost, bond &b) 
+ostream & operator << (ostream &ost, const bond &b) 
 {
-        ost << "[" << b.leftatom->Name << " <" << b.BondDegree << "(H" << b.HydrogenBond << ")>" << b.rightatom->Name << "]";
-        return ost;
+  ost << "[" << b.leftatom->Name << " <" << b.BondDegree << "(H" << b.HydrogenBond << ")>" << b.rightatom->Name << "]";
+  return ost;
 };
 
@@ -94 +94 @@
 atom * bond::GetOtherAtom(atom *Atom) const
 {
-        if(leftatom == Atom) 
-                return rightatom;
-        if(rightatom == Atom) 
-                return leftatom;
-        return NULL;
+  if(leftatom == Atom) 
+    return rightatom;
+  if(rightatom == Atom) 
+    return leftatom;
+  cerr << "Bond " << *this << " does not contain atom " << *Atom << "!" << endl;
+  return NULL;
 };
 
@@ -107 +108 @@
 bond * bond::GetFirstBond()
 {
-        return GetFirst(this);
+  return GetFirst(this);
 };
 
@@ -116 +117 @@
 bond * bond::GetLastBond()
 {
-        return GetLast(this);
+  return GetLast(this);
 };
 
@@ -124 +125 @@
 enum Shading bond::IsUsed() 
 {
-        return Used;
+  return Used;
 };
 
@@ -133 +134 @@
 bool bond::Contains(const atom *ptr)
 {
-        return ((leftatom == ptr) || (rightatom == ptr));
+  return ((leftatom == ptr) || (rightatom == ptr));
 };
 
@@ -142 +143 @@
 bool bond::Contains(const int number)
 {
-        return ((leftatom->nr == number) || (rightatom->nr == number));
+  return ((leftatom->nr == number) || (rightatom->nr == number));
 };
 
@@ -149 +150 @@
  */
 bool bond::MarkUsed(enum Shading color) {
-        if (Used == black) {
-                cerr << "ERROR: Bond " << this << " was already marked black!." << endl;
-                return false;
-        } else {
-                Used = color;
-                return true;
-        }
+  if (Used == black) {
+    cerr << "ERROR: Bond " << this << " was already marked black!." << endl;
+    return false;
+  } else {
+    Used = color;
+    return true;
+  }
 };
 
@@ -162 +163 @@
  */
 void bond::ResetUsed() {
-        Used = white;
+  Used = white;
 };