/* FILE: CifItemValue.C */ /* VERSION: 4 */ /* DATE: 6/17/2002 */ /* Comments and Questions to: sw-help@rcsb.rutgers.edu */ /* COPYRIGHT 1999-2002 Rutgers - The State University of New Jersey This software is provided WITHOUT WARRANTY OF MERCHANTABILITY OR FITNESS FOR A PARTICULAR PURPOSE OR ANY OTHER WARRANTY, EXPRESS OR IMPLIED. RUTGERS MAKE NO REPRESENTATION OR WARRANTY THAT THE SOFTWARE WILL NOT INFRINGE ANY PATENT, COPYRIGHT OR OTHER PROPRIETARY RIGHT. The user of this software shall indemnify, hold harmless and defend Rutgers, its governors, trustees, officers, employees, students, agents and the authors against any and all claims, suits, losses, liabilities, damages, costs, fees, and expenses including reasonable attorneys' fees resulting from or arising out of the use of this software. 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TO THE MAXIMUM EXTENT PERMITTED BY APPLICABLE LAW, IN NO EVENT WILL LICENSOR BE LIABLE FOR ANY INDIRECT, SPECIAL, INCIDENTAL OR CONSEQUENTIAL DAMAGES ARISING OUT OF THE USE OF OR INABILITY TO USE THE SOFTWARE, INCLUDING, WITHOUT LIMITATION, DAMAGES FOR LOSS OF GOODWILL, WORK STOPPAGE, COMPUTER FAILURE OR MALFUNCTION, OR ANY AND ALL OTHER COMMERCIAL DAMAGES OR LOSSES, EVEN IF ADVISED OF THE POSSIBILITY THEREOF. */ /* ****************************************************************** PURPOSE: This file contains the methods of class CIF_ITEMVALUE * **************************************************************** */ #include "CifItemValue.h" #include "ciflib.h" // ********************************************************************* // Constructor, destructor, DeleteElement(), // operators, copy functions // ********************************************************************* CifItemValue:: CifItemValue() // --------------------------------------------------------------------- // CifItemValue(): constructor does initialization // --------------------------------------------------------------------- { _status = CIF_DATA_IS_NULL; _dataType = CIF_STRING_VALUE; _flags._expression = TRUE; _flags._range = TRUE; _flags._case = TRUE; _flags._valueInParent= TRUE; _structureNumValue = 1; _data._intVal = 0; _data._dblVal = 0.0; _data._strVal = NULL; _data._arrayVal = NULL; _buf.Clear(); // lowercase__buf.Clear(); } CifItemValue:: CifItemValue(const int new_datatype, const int new_structureNumValue, const int new_case_sensitive) // --------------------------------------------------------------------- // CifItemValue(): constructor does initialization // Parameter: const int new_datatype // --------------------------------------------------------------------- { _dataType = new_datatype; _flags._expression = TRUE; _flags._case = new_case_sensitive; _flags._range = TRUE; _flags._valueInParent= TRUE; _structureNumValue = new_structureNumValue; if (_dataType != CIF_INTEGER_VALUE && _dataType != CIF_DOUBLE_VALUE && _dataType != CIF_STRING_VALUE) _status = CIF_DATA_TYPE_MISMATCH; else _status = CIF_DATA_IS_NULL; if (_structureNumValue > 1) _data._arrayVal = new ReVarCifArray ; else { _data._intVal = 0; _data._dblVal = 0.0; _data._strVal = NULL; _data._arrayVal = NULL; } _buf.Clear(); // lowercase__buf.Clear(); } CifItemValue:: CifItemValue(const int a) // --------------------------------------------------------------------- // CifItemValue(): constructor does initialization // Parameter: const int new_datatype and itemValue a to put in union data // --------------------------------------------------------------------- { char tmpchar[50]; _flags._expression = TRUE; _flags._range = TRUE; _flags._case = TRUE; _flags._valueInParent= TRUE; _dataType = CIF_INTEGER_VALUE ; _structureNumValue = 1; sprintf(tmpchar, "%ld\0", a); _buf.Copy(tmpchar); _status = CIF_DATA_IS_VALID; _data._intVal = a; } CifItemValue:: CifItemValue(const long a) // --------------------------------------------------------------------- // CifItemValue(): constructor does initialization // Parameter: const int new_datatype // const long itemValue a to put in union data // --------------------------------------------------------------------- { char tmpchar[50]; _flags._expression = TRUE; _flags._range = TRUE; _flags._case = TRUE; _flags._valueInParent= TRUE; _dataType = CIF_INTEGER_VALUE ; _structureNumValue = 1; sprintf(tmpchar, "%ld\0", a); _buf.Copy(tmpchar); _status = CIF_DATA_IS_VALID; _data._intVal = a; } CifItemValue:: CifItemValue(const double a) // --------------------------------------------------------------------- // CifItemValue(): constructor does initialization // Parameter: const int new_datatype // const double itemValue a to put in union data // --------------------------------------------------------------------- { char tmpchar[50]; _flags._expression = TRUE; _flags._range = TRUE; _flags._case = TRUE; _flags._valueInParent= TRUE; sprintf(tmpchar, "%lf", a); _buf.Copy(tmpchar); _dataType = CIF_DOUBLE_VALUE ; _structureNumValue = 1; _status = CIF_DATA_IS_VALID; _data._dblVal = a; } CifItemValue:: CifItemValue(const int new_case_sensitive, const CifString s) // --------------------------------------------------------------------- // CifItemValue(): constructor does initialization // Parameter: const int new_datatype // const CifString itemValue a to put in union data // --------------------------------------------------------------------- { _flags._expression = TRUE; _flags._range = TRUE; _flags._case = new_case_sensitive; _flags._valueInParent= TRUE; _structureNumValue = 1; _buf.Copy(s); _dataType = CIF_STRING_VALUE; _data._intVal = 0; _data._dblVal = 0.0; _data._strVal = NULL; _data._arrayVal = NULL; if (!strcmp(s.Text(),"")) _status = CIF_DATA_IS_NULL; else if (!strcmp(s.Text(),".")) _status = CIF_DATA_NOT_APPROPRIATE ; else { _status = CIF_DATA_IS_VALID; _data._strVal= new CifString; _data._strVal->Copy(_buf); } } CifItemValue:: CifItemValue(const int new_dataType, const int new_case_sensitive, const int new_status, const char *s) // --------------------------------------------------------------------- // CifItemValue(): constructor does initialization // Parameter: const int new_datatype // const char *itemValue a to put in union data // --------------------------------------------------------------------- { _flags._expression = TRUE; _flags._range = TRUE; _flags._case = new_case_sensitive; _flags._valueInParent= TRUE; if (s == NULL) { _buf.Clear(); } else { _buf.Copy(s); } _data._intVal = 0; _data._dblVal = 0.0; _data._strVal = NULL; _data._arrayVal = NULL; _dataType = new_dataType; _structureNumValue = 1; if (_dataType != CIF_INTEGER_VALUE && _dataType != CIF_DOUBLE_VALUE && _dataType != CIF_STRING_VALUE ) _status = CIF_DATA_TYPE_MISMATCH; else { if (new_status == CIF_DATA_NOT_APPROPRIATE) { _status = CIF_DATA_NOT_APPROPRIATE ; _buf.Clear(); } else if (new_status == CIF_DATA_IS_NULL || s == NULL) { _status = CIF_DATA_IS_NULL; _buf.Clear(); } else { _status = new_status; if (_dataType == CIF_STRING_VALUE) { _data._strVal= new CifString; _data._strVal->Copy(_buf); } else if (_dataType == CIF_DOUBLE_VALUE) { /* dot = FALSE; for (i=0; i< _buf.Length(); i++) { if ((i != 0 || (_buf.Text()[i] != '-' && _buf.Text()[i] != '+')) && !isdigit(_buf.Text()[i]) && (_buf.Text()[i] != '.' || dot != FALSE)) break; if (_buf.Text()[i] == '.') dot = TRUE; } if (i != _buf.Length()) _status = CIF_VALUE_SHOULD_BE_DOUBLE; else */ _data._dblVal = atof(_buf.Text()); } else if (_dataType == CIF_INTEGER_VALUE) { /* dot = FALSE; for (i=0; i< _buf.Length(); i++) { if (_buf.Text()[i] == '.') dot = TRUE; if ((i != 0 || (_buf.Text()[i] != '-' && _buf.Text()[i] != '+')) && !isdigit(_buf.Text()[i])) break; } if (i != _buf.Length() && dot == TRUE) for (i++;i < _buf.Length(); i++) if (_buf.Text()[i] != '0') break; if (i != _buf.Length()) _status = CIF_VALUE_SHOULD_BE_INTEGER ; else */ _data._intVal = atoi(_buf.Text()); } } } } CifItemValue:: CifItemValue(const CifItemValue &newitemValue) // --------------------------------------------------------------------- // CifItemValue(): copy constructor does initialization // Parameter: const CifItemValue &newitemValue // --------------------------------------------------------------------- { _flags._expression = newitemValue._flags._expression; _flags._range = newitemValue._flags._range; _flags._case = newitemValue._flags._case; _flags._valueInParent= newitemValue._flags._valueInParent; _dataType = newitemValue._dataType; _status = newitemValue._status; _structureNumValue = newitemValue._structureNumValue; _buf.Copy(newitemValue._buf); _data._intVal = 0; _data._dblVal = 0.0; _data._strVal = NULL; if (_structureNumValue > 1) { _data._arrayVal = new ReVarCifArray ; for (unsigned i =0; i< newitemValue._data._arrayVal->Length(); i++) _data._arrayVal->Add((*newitemValue._data._arrayVal)[i]); } else { if (_status == CIF_DATA_IS_VALID) { if (_dataType == CIF_STRING_VALUE ) { if (newitemValue._data._strVal != NULL) { _data._strVal = new CifString; _data._strVal->Copy(newitemValue._data._strVal); } } else if (_dataType == CIF_INTEGER_VALUE) _data._intVal = newitemValue._data._intVal; else if (_dataType == CIF_DOUBLE_VALUE) _data._dblVal = newitemValue._data._dblVal; else _status = CIF_DATA_TYPE_MISMATCH; } } } CifItemValue::~CifItemValue() // --------------------------------------------------------------------- // ~CifItemValue(): destructor // --------------------------------------------------------------------- { DeleteElement(); } void CifItemValue::DeleteElement() // --------------------------------------------------------------------- // DeleteElement(): Cleans up space // --------------------------------------------------------------------- { if (_structureNumValue > 1) delete _data._arrayVal; else if (_dataType == CIF_STRING_VALUE && _status == CIF_DATA_IS_VALID && _data._strVal != NULL) { delete _data._strVal; _data._strVal = NULL; } _flags._expression = TRUE; _flags._range = TRUE; _flags._case = TRUE; _flags._valueInParent = TRUE; _data._strVal = NULL; _data._arrayVal = NULL; _data._intVal = 0; _data._dblVal = 0.0; _dataType = CIF_STRING_VALUE; _status = CIF_DATA_IS_NULL; _structureNumValue = 1; _buf.Clear(); // lowercase__buf.Clear(); } CifItemValue &CifItemValue::operator=(const CifItemValue &olditemValue) // --------------------------------------------------------------------- // operator=(): assignment operator = // --------------------------------------------------------------------- { return(Copy(olditemValue)); } CifItemValue &CifItemValue::Copy(const CifItemValue &newitemValue) // --------------------------------------------------------------------- // Copy(): Copy itemValue from a CifItemValue class // --------------------------------------------------------------------- { DeleteElement(); _flags._expression = newitemValue._flags._expression; _flags._range = newitemValue._flags._range; _flags._case = newitemValue._flags._case; _flags._valueInParent= newitemValue._flags._valueInParent; _buf.Copy(newitemValue._buf); _dataType = newitemValue._dataType; _status = newitemValue._status; _structureNumValue = newitemValue._structureNumValue; if (_structureNumValue > 1 ) { _data._arrayVal = new ReVarCifArray ; for (unsigned i =0; i< newitemValue._data._arrayVal->Length(); i++) _data._arrayVal->Add((*newitemValue._data._arrayVal)[i]); } else { if (_status == CIF_DATA_IS_VALID) { if (newitemValue._dataType == CIF_STRING_VALUE) { if ( newitemValue._data._strVal != NULL) { _data._strVal = new CifString; _data._strVal->Copy(newitemValue._data._strVal); } } else if (newitemValue._dataType == CIF_INTEGER_VALUE) _data._intVal = newitemValue._data._intVal; else if (newitemValue._dataType == CIF_DOUBLE_VALUE) _data._dblVal = newitemValue._data._dblVal; else _status = CIF_DATA_TYPE_MISMATCH; } } return(*this); } // ********************************************************************* // PrintTable(), and Print() prints the itemValue of the structure // ********************************************************************* void CifItemValue::PrintTable() const // --------------------------------------------------------------------- // PrintTable(): Print table like itemValues // --------------------------------------------------------------------- { if (_status != CIF_DATA_IS_NULL && _status != CIF_DATA_NOT_APPROPRIATE) cout << '\t' << "\"" << _buf.Text() << "\""; else if (_status == CIF_DATA_IS_NULL) cout << '\t' << "\"null\""; else cout << '\t' << "\"not_appropriate\""; } void CifItemValue::PermanentWrite(FILE *fp) { fprintf(fp, "%d %d %d %d %d %d %d\n", _flags._case, _flags._expression, _flags._range, _flags._valueInParent, _dataType, _structureNumValue, _status); _buf.PermanentWrite(fp); if (_structureNumValue > 1) { if (_data._arrayVal == NULL) fprintf(fp, "%d\n", 0); else { fprintf(fp, "%d\n", _data._arrayVal->Length()); for (unsigned i=0; i<_data._arrayVal->Length(); i++) (*_data._arrayVal)[i].PermanentWrite(fp); } } } void CifItemValue::PermanentRead(FILE *fp) { int tmpitemValue; int tmplength; CifItemValue tmpval; fscanf(fp, "%d ", &tmpitemValue); _flags._case = tmpitemValue; fscanf(fp, "%d ", &tmpitemValue); _flags._expression = tmpitemValue; fscanf(fp, "%d ", &tmpitemValue); _flags._range = tmpitemValue; fscanf(fp, "%d ", &tmpitemValue); _flags._valueInParent= tmpitemValue; fscanf(fp, "%d %d %d", &_dataType, &_structureNumValue, &_status); _buf.PermanentRead(fp); if (_structureNumValue > 1) { fscanf(fp, "%d\n", &tmplength); if (tmplength >= 1) { _data._arrayVal = new ReVarCifArray ; if (tmplength > 0) _data._arrayVal->GrowBy(tmplength); for (unsigned i=0; i < tmplength; i++) { tmpval.DeleteElement(); tmpval.PermanentRead(fp); _data._arrayVal->Add(tmpval); } } } else { if (_dataType == CIF_INTEGER_VALUE) _data._intVal = atoi(_buf.Text()); else if (_dataType == CIF_DOUBLE_VALUE) _data._dblVal = atof(_buf.Text()); else { if (_status == CIF_DATA_IS_VALID) { _data._strVal = new CifString; _data._strVal->Copy(_buf); } } } } void CifItemValue::Print() const // --------------------------------------------------------------------- // Print(): Dump the structure // --------------------------------------------------------------------- { if (_structureNumValue <= 1) { if (_status == CIF_DATA_IS_NULL) cout << "null "; else if (_status == CIF_DATA_NOT_APPROPRIATE) cout << "not appropriate "; else if (_status == CIF_DATA_IS_VALID) { if (_dataType == CIF_INTEGER_VALUE) cout << _data._intVal << ' '; else if (_dataType == CIF_DOUBLE_VALUE) cout << _data._dblVal << ' '; else cout << '"' << _data._strVal->Text() << '"' << ' '; } else cout << '"' << _buf.Text() << '"' << ' '; cout << endl; } else { cout << "arrayVal.Length() = " << _data._arrayVal->Length() << endl; cout << "\t\t" ; for (unsigned i=0; i< _data._arrayVal->Length(); i++) { cout << i << ": " ; (*_data._arrayVal)[i].Print(); } } } void CifItemValue::PrintDetails() const // --------------------------------------------------------------------- // Print(): Dump the structure // --------------------------------------------------------------------- { cout << "_status = " << _status ; //<< " _flags._range = " << _range ; cout << " _structureNumValue = " << _structureNumValue ; cout << " case_sensitive = " << _flags._case ; cout << " _dataType = " << _dataType << ": "; if (_structureNumValue <= 1) { if (_status == CIF_DATA_IS_NULL) cout << "null "; else if (_status == CIF_DATA_NOT_APPROPRIATE) cout << "not appropriate "; else if (_status == CIF_DATA_IS_VALID) { if (_dataType == CIF_INTEGER_VALUE) cout << _data._intVal << ' '; else if (_dataType == CIF_DOUBLE_VALUE) cout << _data._dblVal << ' '; else cout << '"' << _data._strVal->Text() << '"' << ' '; } else cout << '"' << _buf.Text() << '"' << ' '; } else { cout << "arrayVal.Length() = " << _data._arrayVal->Length() << endl; cout << "\t\t" ; for (unsigned i=0; i< _data._arrayVal->Length(); i++) { cout << i << ": " ; (*_data._arrayVal)[i].Print(); } } cout << endl; } // ********************************************************************* // UpdateItemValue updates itemValue // ********************************************************************* int CifItemValue::UpdateItemValue(const unsigned new_type, const int new_status, const char *newitemValue) // --------------------------------------------------------------------- // UpdateItemValue(): Updates the itemValue // Parameter: CifItemValue *newitemValue // --------------------------------------------------------------------- { unsigned save_dataType; save_dataType = _dataType; _buf.Clear(); if (_structureNumValue > 1) return CIF_STRUCTURE_DIMENSION_NOT_EXIST ; _dataType = new_type; if (_status == CIF_DATA_IS_VALID && save_dataType == CIF_STRING_VALUE && (_dataType == CIF_INTEGER_VALUE || _dataType == CIF_DOUBLE_VALUE) ){ if (_data._strVal) { delete _data._strVal; _data._strVal = NULL; } } if (new_status == CIF_DATA_NOT_APPROPRIATE) { if (save_dataType == CIF_STRING_VALUE && _status == CIF_DATA_IS_VALID) { if (_data._strVal) { delete _data._strVal; _data._strVal = NULL; } } _status = CIF_DATA_NOT_APPROPRIATE; return _status; } else if (new_status == CIF_DATA_IS_NULL || newitemValue == NULL) { if (save_dataType == CIF_STRING_VALUE && _status == CIF_DATA_IS_VALID) { if (_data._strVal) { delete _data._strVal; _data._strVal = NULL; } } _status = CIF_DATA_IS_NULL; return _status; } else if ((save_dataType == CIF_STRING_VALUE && _status != CIF_DATA_IS_VALID || save_dataType != CIF_STRING_VALUE) && _dataType == CIF_STRING_VALUE){ _data._strVal = new CifString; } if (_dataType == CIF_INTEGER_VALUE) _data._intVal = atoi(newitemValue); else if (_dataType == CIF_DOUBLE_VALUE) _data._dblVal = atof(newitemValue); else _data._strVal->Copy(newitemValue); _status = CIF_DATA_IS_VALID; if (newitemValue != NULL) _buf.Copy(newitemValue); else _buf.Clear(); return _status; } int CifItemValue::UpdateItemValue(const long newitemValue) { char tmpchar[CIF_MAXSTRLEN]; if (_structureNumValue > 1) return CIF_STRUCTURE_DIMENSION_NOT_EXIST ; if (_dataType != CIF_INTEGER_VALUE) return CIF_DATA_TYPE_MISMATCH ; _status = CIF_DATA_IS_VALID; _data._intVal = newitemValue; sprintf(tmpchar, "%ld\0", newitemValue); _buf.Copy(tmpchar); return _status; } int CifItemValue::UpdateItemValue(const double newitemValue) { char tmpchar[CIF_MAXSTRLEN]; if (_structureNumValue > 1) return CIF_STRUCTURE_DIMENSION_NOT_EXIST ; if (_dataType != CIF_INTEGER_VALUE) return CIF_DATA_TYPE_MISMATCH ; _status = CIF_DATA_IS_VALID; _data._dblVal = newitemValue; sprintf(tmpchar, "%ld\0", newitemValue); _buf.Copy(tmpchar); return _status; } int CifItemValue::UpdateItemValue(const CifItemValue *newitemValue) // --------------------------------------------------------------------- // UpdateItemValue(): Updates the itemValue // Parameter: CifItemValue *newitemValue // --------------------------------------------------------------------- { unsigned save_dataType, save_structureNumValue, save_case_sensitive; save_dataType = _dataType; save_structureNumValue = _structureNumValue; save_case_sensitive = _flags._case; DeleteElement(); _dataType = save_dataType; _structureNumValue = save_structureNumValue; _flags._case = save_case_sensitive; _buf.Copy(newitemValue->_buf); if (_dataType != newitemValue->_dataType) _status = CIF_DATA_TYPE_MISMATCH; else Copy(*newitemValue); return _status; } int CifItemValue::UpdateItemValue(const CifItemValue *newitemValue, const unsigned index) // --------------------------------------------------------------------- // UpdateItemValue(): Updates the itemValue // Parameter: CifItemValue *newitemValue // --------------------------------------------------------------------- { if (_structureNumValue > 1) { if (index <_data._arrayVal->Length()) { (*_data._arrayVal)[index].Copy(*newitemValue); return TRUE; } else return FALSE; } else return UpdateItemValue(newitemValue); } void CifItemValue::SetDataStatus(const unsigned new_status) { CifString tmp_buf(_buf); if (_structureNumValue <= 1) { DeleteElement(); _status = new_status; _buf.Copy(tmp_buf); if (_dataType != CIF_INTEGER_VALUE && _dataType != CIF_DOUBLE_VALUE && _dataType != CIF_STRING_VALUE) _status = CIF_DATA_TYPE_MISMATCH; else if (_status == CIF_DATA_IS_VALID) { if (_dataType == CIF_INTEGER_VALUE) _data._intVal = atoi(_buf.Text()); else if (_dataType == CIF_DOUBLE_VALUE) _data._dblVal = atof(_buf.Text()); else if (_dataType == CIF_STRING_VALUE) { if (strcmp(_buf.Text(), "") != 0) { _data._strVal = new CifString; _data._strVal->Copy(_buf); } } } } else { for (unsigned i=0; i< _data._arrayVal->Length(); i++) (*_data._arrayVal)[i].SetDataStatus(new_status); } } void CifItemValue::SetDataType(int new_type) { double tmpdbl; char tmpstrval[CIF_MAXSTRLEN]; if (new_type != CIF_INTEGER_VALUE && new_type != CIF_DOUBLE_VALUE) new_type = CIF_STRING_VALUE; if (_dataType == new_type) return; if (_structureNumValue <=1) { if (_status != CIF_DATA_IS_NULL && _status != CIF_DATA_NOT_APPROPRIATE) { if (_dataType == CIF_STRING_VALUE) { if (new_type == CIF_INTEGER_VALUE || new_type == CIF_DOUBLE_VALUE) { tmpdbl = atof(_data._strVal->Text()); if (_data._strVal) { delete _data._strVal; _data._strVal = NULL; } if (new_type == CIF_INTEGER_VALUE) _data._intVal = (int) tmpdbl; else if (new_type == CIF_DOUBLE_VALUE) _data._dblVal = tmpdbl; } } else { if (new_type == CIF_STRING_VALUE) { if (_dataType == CIF_INTEGER_VALUE) sprintf(tmpstrval,"%d\0", _data._intVal); else if (_dataType == CIF_DOUBLE_VALUE) sprintf(tmpstrval,"%lf\0", _data._dblVal); _data._strVal = new CifString; _data._strVal->Copy(tmpstrval); } } } _dataType = new_type; } else { for (unsigned i =0; i < _data._arrayVal->Length(); i++) (*_data._arrayVal)[i].SetDataType(new_type); _dataType = new_type; } } // ********************************************************************* // GetItemValue gets itemValue // ********************************************************************* int CifItemValue:: GetItemValue(CifString **a, const int index) // --------------------------------------------------------------------- // GetItemValue(): Get the string itemValue // Parameter: CifString *a // --------------------------------------------------------------------- { if (_structureNumValue <= 1) { // if (_flags._case) // a->Copy(_buf); *a = &_buf; // else //a->Copy(lowercase__buf); // *a = &lowercase__buf; return _status; } else { *a = NULL; if (index < 0 || index >= _data._arrayVal->Length()) return CIF_VALUE_NOT_EXIST; else return (*_data._arrayVal)[index].GetItemValue(a); } } int CifItemValue:: GetItemValue(CifItemValue **a) // --------------------------------------------------------------------- // GetItemValue(): Get the string itemValue // Parameter: CifString *a // --------------------------------------------------------------------- { // a->Copy(*this); *a = this; return _status; }