Changeset e08f45 for molecuilder/src/bond.cpp

Timestamp:

Feb 9, 2009, 5:24:10 PM (17 years ago)

Author:

Frederik Heber <heber@…>

Children:

451d7a

Parents:

4aef8a

git-author:

Frederik Heber <heber@…> (02/09/09 15:55:37)

git-committer:

Frederik Heber <heber@…> (02/09/09 17:24:10)

Message:

Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull

Conflicts:

molecuilder/src/boundary.cpp
molecuilder/src/boundary.hpp
molecuilder/src/builder.cpp
molecuilder/src/linkedcell.cpp
molecuilder/src/linkedcell.hpp
molecuilder/src/vector.cpp
molecuilder/src/vector.hpp
util/src/NanoCreator.c

Basically, this resulted from a lot of conversions two from spaces to one tab, which is my standard indentation. The mess was caused by eclipse auto-indenting. And in espack2:ConcaveHull was the new stuff, so all from ConcaveHull was replaced in case of doubt.
Additionally, vector had ofstream << operator instead ostream << ...

File:

• molecuilder/src/bond.cpp (modified) (11 diffs, 1 prop)

molecuilder/src/bond.cpp

@@ -16 +16 @@
         leftatom = NULL;
         rightatom = NULL;
-  previous = NULL;
-  next = NULL;
+        previous = NULL;
+        next = NULL;
         nr = -1;
         HydrogenBond = 0;
         BondDegree = 0;
-  Used = white;
-  Cyclic = false;
-  Type = Undetermined;
+        Used = white;
+        Cyclic = false;
+        Type = Undetermined;
 };
 
@@ -36 +36 @@
         leftatom = left;
         rightatom = right;
-  previous = NULL;
-  next = NULL;
+        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;
+        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) 
 {
-  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;
+        return NULL;
 };
 
@@ -107 +107 @@
 bond * bond::GetFirstBond()
 {
-  return GetFirst(this);
+        return GetFirst(this);
 };
 
@@ -116 +116 @@
 bond * bond::GetLastBond()
 {
-  return GetLast(this);
+        return GetLast(this);
 };
 
@@ -124 +124 @@
 enum Shading bond::IsUsed() 
 {
-  return Used;
+        return Used;
 };
 
@@ -133 +133 @@
 bool bond::Contains(const atom *ptr)
 {
-  return ((leftatom == ptr) || (rightatom == ptr));
+        return ((leftatom == ptr) || (rightatom == ptr));
 };
 
@@ -142 +142 @@
 bool bond::Contains(const int number)
 {
-  return ((leftatom->nr == number) || (rightatom->nr == number));
+        return ((leftatom->nr == number) || (rightatom->nr == number));
 };
 
@@ -149 +149 @@
  */
 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 +162 @@
  */
 void bond::ResetUsed() {
-  Used = white;
+        Used = white;
 };