00001 /* Ergo, version 3.2, a program for linear scaling electronic structure 00002 * calculations. 00003 * Copyright (C) 2012 Elias Rudberg, Emanuel H. Rubensson, and Pawel Salek. 00004 * 00005 * This program is free software: you can redistribute it and/or modify 00006 * it under the terms of the GNU General Public License as published by 00007 * the Free Software Foundation, either version 3 of the License, or 00008 * (at your option) any later version. 00009 * 00010 * This program is distributed in the hope that it will be useful, 00011 * but WITHOUT ANY WARRANTY; without even the implied warranty of 00012 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the 00013 * GNU General Public License for more details. 00014 * 00015 * You should have received a copy of the GNU General Public License 00016 * along with this program. If not, see <http://www.gnu.org/licenses/>. 00017 * 00018 * Primary academic reference: 00019 * KohnâSham Density Functional Theory Electronic Structure Calculations 00020 * with Linearly Scaling Computational Time and Memory Usage, 00021 * Elias Rudberg, Emanuel H. Rubensson, and Pawel Salek, 00022 * J. Chem. Theory Comput. 7, 340 (2011), 00023 * <http://dx.doi.org/10.1021/ct100611z> 00024 * 00025 * For further information about Ergo, see <http://www.ergoscf.org>. 00026 */ 00027 00028 /* The Failure class is used for exception handling. * 00029 * It inherits std::exception which means that an instance of this * 00030 * class can be caught by catching std::exception& * 00031 * The "&" must be there, otherwise the failure message * 00032 * will be "cut out". * 00033 * Retrieve the message with a call to the member function "what()" * 00034 * * 00035 * * 00036 * \\\|||/// \ (C) Emanuel Rubensson, August, 2005 * 00037 * \ ~ ~ / \ * 00038 * | @ @ | \ mail: emanuel@theochem.kth.se * 00039 * oOo---(_)---oOo---\----------------------------------------------* 00040 * */ 00041 00042 #ifndef FAILURE 00043 #define FAILURE 00044 #include <exception> 00045 namespace mat 00046 { 00047 class Failure : public std::exception { 00048 const char* message; 00049 public: 00050 Failure() 00051 :message("Failure: No failure information available") 00052 {} 00053 explicit Failure (const char* msg) 00054 :message(msg) 00055 {} 00056 virtual ~Failure() throw() {} 00057 virtual const char* what() const throw() 00058 {return message;} 00059 }; 00060 00061 class Acceptable : public Failure { 00062 public: 00063 Acceptable() 00064 :Failure("Acceptable: No acceptable failure information available") 00065 {} 00066 explicit Acceptable (const char* msg) 00067 :Failure(msg) 00068 {} 00069 }; 00070 00071 class AcceptableMaxIter : public Acceptable { 00072 int maxiter; 00073 public: 00074 AcceptableMaxIter() 00075 :Acceptable("AcceptableMaxIter: No acceptable failure information available"), 00076 maxiter(0) 00077 {} 00078 explicit AcceptableMaxIter (const char* msg, int maxi = 0) 00079 :Acceptable(msg), maxiter(maxi) 00080 {} 00081 int get_maxiter() const { 00082 return maxiter; 00083 } 00084 }; 00085 00086 } /* end namespace */ 00087 #endif