Changeset 543ce4 for molecuilder/src/atom.cpp

Timestamp:

Nov 4, 2009, 7:56:04 PM (16 years ago)

Author:

Frederik Heber <heber@…>

Children:

4ef101, aa8542

Parents:

ec70ec

Message:

Huge change from ofstream * (const) out --> Log().

• first shift was done via regular expressions
• then via error messages from the code
• note that class atom, class element and class molecule kept in parts their output stream, was they print to file.
• make check runs fine
• MISSING: Verbosity is not fixed for everything (i.e. if no endl; is present and next has Verbose(0) ...)

Signed-off-by: Frederik Heber <heber@…>

File:

• molecuilder/src/atom.cpp (modified) (5 diffs)

molecuilder/src/atom.cpp

@@ -107 +107 @@
   * \return true - \a *out present, false - \a *out is NULL
  */
-bool atom::OutputIndexed(ofstream *out, const int ElementNo, const int AtomNo, const char *comment) const
+bool atom::OutputIndexed(ofstream * const out, const int ElementNo, const int AtomNo, const char *comment) const
 {
   if (out != NULL) {
@@ -131 +131 @@
   * \return true - \a *out present, false - \a *out is NULL
  */
-bool atom::OutputArrayIndexed(ofstream *out, const int *ElementNo, int *AtomNo, const char *comment) const
+bool atom::OutputArrayIndexed(ofstream * const out, const int *ElementNo, int *AtomNo, const char *comment) const
 {
   AtomNo[type->Z]++;  // increment number
@@ -169 +169 @@
   * \return true - \a *out present, false - \a *out is NULL
  */
-bool atom::OutputTrajectory(ofstream *out, const int *ElementNo, int *AtomNo, const int step) const
+bool atom::OutputTrajectory(ofstream * const out, const int *ElementNo, int *AtomNo, const int step) const
 {
   AtomNo[type->Z]++;
@@ -191 +191 @@
  * \return true - \a *out present, false - \a *out is NULL
  */
-bool atom::OutputTrajectoryXYZ(ofstream *out, const int step) const
+bool atom::OutputTrajectoryXYZ(ofstream * const out, const int step) const
 {
   if (out != NULL) {
@@ -208 +208 @@
  * \param *AtomNo pointer to atom counter that is increased by one
  */
-void atom::OutputMPQCLine(ofstream *out, const Vector *center, int *AtomNo = NULL) const
+void atom::OutputMPQCLine(ofstream * const out, const Vector *center, int *AtomNo = NULL) const
 {
   *out << "\t\t" << type->symbol << " [ " << x.x[0]-center->x[0] << "\t" << x.x[1]-center->x[1] << "\t" << x.x[2]-center->x[2] << " ]" << endl;