/apbs-1.3-source/tools/matlab/solver/MATLAB_PB_SOLVER_6/inmcreator.m
# · MATLAB · 669 lines · 250 code · 137 blank · 282 comment · 28 complexity · 93b39dad5072402cdd9dfe34a3b7341e MD5 · raw file
- function varargout = inmcreator(varargin)
- % INMCREATOR M-file for inmcreator.fig
- % INMCREATOR, by itself, creates a new INMCREATOR or raises the existing
- % singleton*.
- %
- % H = INMCREATOR returns the handle to a new INMCREATOR or the handle to
- % the existing singleton*.
- %
- % INMCREATOR('CALLBACK',hObject,eventData,handles,...) calls the local
- % function named CALLBACK in INMCREATOR.M with the given input arguments.
- %
- % INMCREATOR('Property','Value',...) creates a new INMCREATOR or raises the
- % existing singleton*. Starting from the left, property value pairs are
- % applied to the GUI before inmcreator_OpeningFcn gets called. An
- % unrecognized property name or invalid value makes property application
- % stop. All inputs are passed to inmcreator_OpeningFcn via varargin.
- %
- % *See GUI Options on GUIDE's Tools menu. Choose "GUI allows only one
- % instance to run (singleton)".
- %
- % See also: GUIDE, GUIDATA, GUIHANDLES
- % Edit the above text to modify the response to help inmcreator
- % Last Modified by GUIDE v2.5 05-Dec-2009 23:04:20
- % Begin initialization code - DO NOT EDIT
- gui_Singleton = 1;
- gui_State = struct('gui_Name', mfilename, ...
- 'gui_Singleton', gui_Singleton, ...
- 'gui_OpeningFcn', @inmcreator_OpeningFcn, ...
- 'gui_OutputFcn', @inmcreator_OutputFcn, ...
- 'gui_LayoutFcn', [] , ...
- 'gui_Callback', []);
- if nargin && ischar(varargin{1})
- gui_State.gui_Callback = str2func(varargin{1});
- end
- if nargout
- [varargout{1:nargout}] = gui_mainfcn(gui_State, varargin{:});
- else
- gui_mainfcn(gui_State, varargin{:});
- end
- % End initialization code - DO NOT EDIT
- % --- Executes just before inmcreator is made visible.
- function inmcreator_OpeningFcn(hObject, eventdata, handles, varargin)
- % This function has no output args, see OutputFcn.
- % hObject handle to figure
- % eventdata reserved - to be defined in a future version of MATLAB
- % handles structure with handles and user data (see GUIDATA)
- % varargin command line arguments to inmcreator (see VARARGIN)
- % Choose default command line output for inmcreator
- handles.output = hObject;
- handles.dime1=0;
- handles.dime2=1;
- handles.dime3=2;
- handles.glen1=0;
- handles.glen2=0;
- handles.glen3=0;
- handles.temp=0;
- handles.ionic=0;
- handles.solvent=0;
- handles.dielx='o';
- handles.diely='o';
- handles.dielz='o';
- handles.kappa='o';
- handles.mol1='o';
- handles.mol2='o';
- handles.cin='o';
- handles.cout='o';
- handles.ener='calcenerno';
- handles.bc='focusname.inm';
- handles.digit=4;
- handles.filename='inputfile.inm';
- % Update handles structure
- guidata(hObject, handles);
- % UIWAIT makes inmcreator wait for user response (see UIRESUME)
- %uiwait(handles.figure1);
- % --- Outputs from this function are returned to the command line.
- function varargout = inmcreator_OutputFcn(hObject, eventdata, handles)
- % varargout cell array for returning output args (see VARARGOUT);
- % hObject handle to figure
- % eventdata reserved - to be defined in a future version of MATLAB
- % handles structure with handles and user data (see GUIDATA)
- % Get default command line output from handles structure
- varargout{1} = handles.output;
- function edit2_Callback(hObject, eventdata, handles)
- % hObject handle to edit2 (see GCBO)
- % eventdata reserved - to be defined in a future version of MATLAB
- % handles structure with handles and user data (see GUIDATA)
- % Hints: get(hObject,'String') returns contents of edit2 as text
- % str2double(get(hObject,'String')) returns contents of edit2 as a double
- handles.dime2=int16(str2double(get(hObject,'String')));
- guidata(hObject,handles);
- % --- Executes during object creation, after setting all properties.
- function edit2_CreateFcn(hObject, eventdata, handles)
- % hObject handle to edit2 (see GCBO)
- % eventdata reserved - to be defined in a future version of MATLAB
- % handles empty - handles not created until after all CreateFcns called
- % Hint: edit controls usually have a white background on Windows.
- % See ISPC and COMPUTER.
- if ispc && isequal(get(hObject,'BackgroundColor'), get(0,'defaultUicontrolBackgroundColor'))
- set(hObject,'BackgroundColor','white');
- end
- function edit3_Callback(hObject, eventdata, handles)
- % hObject handle to edit3 (see GCBO)
- % eventdata reserved - to be defined in a future version of MATLAB
- % handles structure with handles and user data (see GUIDATA)
- % Hints: get(hObject,'String') returns contents of edit3 as text
- % str2double(get(hObject,'String')) returns contents of edit3 as a double
- handles.dime3=int16(str2double(get(hObject,'String')));
- guidata(hObject,handles);
- % --- Executes during object creation, after setting all properties.
- function edit3_CreateFcn(hObject, eventdata, handles)
- % hObject handle to edit3 (see GCBO)
- % eventdata reserved - to be defined in a future version of MATLAB
- % handles empty - handles not created until after all CreateFcns called
- % Hint: edit controls usually have a white background on Windows.
- % See ISPC and COMPUTER.
- if ispc && isequal(get(hObject,'BackgroundColor'), get(0,'defaultUicontrolBackgroundColor'))
- set(hObject,'BackgroundColor','white');
- end
- function edit4_Callback(hObject, eventdata, handles,glen1)
- % hObject handle to edit4 (see GCBO)
- % eventdata reserved - to be defined in a future version of MATLAB
- % handles structure with handles and user data (see GUIDATA)
- % Hints: get(hObject,'String') returns contents of edit4 as text
- % str2double(get(hObject,'String')) returns contents of edit4 as a double
- handles.glen1=str2double(get(hObject,'String'));
- guidata(hObject,handles);
- % --- Executes during object creation, after setting all properties.
- function edit4_CreateFcn(hObject, eventdata, handles)
- % hObject handle to edit4 (see GCBO)
- % eventdata reserved - to be defined in a future version of MATLAB
- % handles empty - handles not created until after all CreateFcns called
- % Hint: edit controls usually have a white background on Windows.
- % See ISPC and COMPUTER.
- if ispc && isequal(get(hObject,'BackgroundColor'), get(0,'defaultUicontrolBackgroundColor'))
- set(hObject,'BackgroundColor','white');
- end
- function edit5_Callback(hObject, eventdata, handles,glen2)
- % hObject handle to edit5 (see GCBO)
- % eventdata reserved - to be defined in a future version of MATLAB
- % handles structure with handles and user data (see GUIDATA)
- % Hints: get(hObject,'String') returns contents of edit5 as text
- % str2double(get(hObject,'String')) returns contents of edit5 as a double
- handles.glen2=str2double(get(hObject,'String'));
- guidata(hObject,handles);
- % --- Executes during object creation, after setting all properties.
- function edit5_CreateFcn(hObject, eventdata, handles)
- % hObject handle to edit5 (see GCBO)
- % eventdata reserved - to be defined in a future version of MATLAB
- % handles empty - handles not created until after all CreateFcns called
- % Hint: edit controls usually have a white background on Windows.
- % See ISPC and COMPUTER.
- if ispc && isequal(get(hObject,'BackgroundColor'), get(0,'defaultUicontrolBackgroundColor'))
- set(hObject,'BackgroundColor','white');
- end
- function edit6_Callback(hObject, eventdata, handles,glen3)
- % hObject handle to edit6 (see GCBO)
- % eventdata reserved - to be defined in a future version of MATLAB
- % handles structure with handles and user data (see GUIDATA)
- % Hints: get(hObject,'String') returns contents of edit6 as text
- % str2double(get(hObject,'String')) returns contents of edit6 as a double
- handles.glen3=str2double(get(hObject,'String'));
- guidata(hObject,handles);
- % --- Executes during object creation, after setting all properties.
- function edit6_CreateFcn(hObject, eventdata, handles)
- % hObject handle to edit6 (see GCBO)
- % eventdata reserved - to be defined in a future version of MATLAB
- % handles empty - handles not created until after all CreateFcns called
- % Hint: edit controls usually have a white background on Windows.
- % See ISPC and COMPUTER.
- if ispc && isequal(get(hObject,'BackgroundColor'), get(0,'defaultUicontrolBackgroundColor'))
- set(hObject,'BackgroundColor','white');
- end
- function edit7_Callback(hObject, eventdata, handles)
- % hObject handle to edit7 (see GCBO)
- % eventdata reserved - to be defined in a future version of MATLAB
- % handles structure with handles and user data (see GUIDATA)
- % Hints: get(hObject,'String') returns contents of edit7 as text
- % str2double(get(hObject,'String')) returns contents of edit7 as a double
- handles.dielx=get(hObject,'String');
- guidata(hObject,handles);
- % --- Executes during object creation, after setting all properties.
- function edit7_CreateFcn(hObject, eventdata, handles)
- % hObject handle to edit7 (see GCBO)
- % eventdata reserved - to be defined in a future version of MATLAB
- % handles empty - handles not created until after all CreateFcns called
- % Hint: edit controls usually have a white background on Windows.
- % See ISPC and COMPUTER.
- if ispc && isequal(get(hObject,'BackgroundColor'), get(0,'defaultUicontrolBackgroundColor'))
- set(hObject,'BackgroundColor','white');
- end
- function edit9_Callback(hObject, eventdata, handles)
- % hObject handle to edit9 (see GCBO)
- % eventdata reserved - to be defined in a future version of MATLAB
- % handles structure with handles and user data (see GUIDATA)
- % Hints: get(hObject,'String') returns contents of edit9 as text
- % str2double(get(hObject,'String')) returns contents of edit9 as a double
- handles.dielz=get(hObject,'String');
- guidata(hObject,handles);
- % --- Executes during object creation, after setting all properties.
- function edit9_CreateFcn(hObject, eventdata, handles)
- % hObject handle to edit9 (see GCBO)
- % eventdata reserved - to be defined in a future version of MATLAB
- % handles empty - handles not created until after all CreateFcns called
- % Hint: edit controls usually have a white background on Windows.
- % See ISPC and COMPUTER.
- if ispc && isequal(get(hObject,'BackgroundColor'), get(0,'defaultUicontrolBackgroundColor'))
- set(hObject,'BackgroundColor','white');
- end
- function edit10_Callback(hObject, eventdata, handles)
- % hObject handle to edit10 (see GCBO)
- % eventdata reserved - to be defined in a future version of MATLAB
- % handles structure with handles and user data (see GUIDATA)
- % Hints: get(hObject,'String') returns contents of edit10 as text
- % str2double(get(hObject,'String')) returns contents of edit10 as a double
- handles.temp=str2double(get(hObject,'String'));
- guidata(hObject, handles);
- % --- Executes during object creation, after setting all properties.
- function edit10_CreateFcn(hObject, eventdata, handles)
- % hObject handle to edit10 (see GCBO)
- % eventdata reserved - to be defined in a future version of MATLAB
- % handles empty - handles not created until after all CreateFcns called
- % Hint: edit controls usually have a white background on Windows.
- % See ISPC and COMPUTER.
- if ispc && isequal(get(hObject,'BackgroundColor'), get(0,'defaultUicontrolBackgroundColor'))
- set(hObject,'BackgroundColor','white');
- end
- function edit12_Callback(hObject, eventdata, handles)
- % hObject handle to edit12 (see GCBO)
- % eventdata reserved - to be defined in a future version of MATLAB
- % handles structure with handles and user data (see GUIDATA)
- % Hints: get(hObject,'String') returns contents of edit12 as text
- % str2double(get(hObject,'String')) returns contents of edit12 as a double
- handles.diely=get(hObject,'String');
- guidata(hObject, handles);
- % --- Executes during object creation, after setting all properties.
- function edit12_CreateFcn(hObject, eventdata, handles)
- % hObject handle to edit12 (see GCBO)
- % eventdata reserved - to be defined in a future version of MATLAB
- % handles empty - handles not created until after all CreateFcns called
- % Hint: edit controls usually have a white background on Windows.
- % See ISPC and COMPUTER.
- if ispc && isequal(get(hObject,'BackgroundColor'), get(0,'defaultUicontrolBackgroundColor'))
- set(hObject,'BackgroundColor','white');
- end
- function edit13_Callback(hObject, eventdata, handles)
- % hObject handle to edit13 (see GCBO)
- % eventdata reserved - to be defined in a future version of MATLAB
- % handles structure with handles and user data (see GUIDATA)
- % Hints: get(hObject,'String') returns contents of edit13 as text
- % str2double(get(hObject,'String')) returns contents of edit13 as a double
- handles.dielz=get(hObject,'String');
- guidata(hObject, handles);
- % --- Executes during object creation, after setting all properties.
- function edit13_CreateFcn(hObject, eventdata, handles)
- % hObject handle to edit13 (see GCBO)
- % eventdata reserved - to be defined in a future version of MATLAB
- % handles empty - handles not created until after all CreateFcns called
- % Hint: edit controls usually have a white background on Windows.
- % See ISPC and COMPUTER.
- if ispc && isequal(get(hObject,'BackgroundColor'), get(0,'defaultUicontrolBackgroundColor'))
- set(hObject,'BackgroundColor','white');
- end
- function edit14_Callback(hObject, eventdata, handles)
- % hObject handle to edit14 (see GCBO)
- % eventdata reserved - to be defined in a future version of MATLAB
- % handles structure with handles and user data (see GUIDATA)
- % Hints: get(hObject,'String') returns contents of edit14 as text
- % str2double(get(hObject,'String')) returns contents of edit14 as a double
- handles.kappa=get(hObject,'String');
- guidata(hObject, handles);
- % --- Executes during object creation, after setting all properties.
- function edit14_CreateFcn(hObject, eventdata, handles)
- % hObject handle to edit14 (see GCBO)
- % eventdata reserved - to be defined in a future version of MATLAB
- % handles empty - handles not created until after all CreateFcns called
- % Hint: edit controls usually have a white background on Windows.
- % See ISPC and COMPUTER.
- if ispc && isequal(get(hObject,'BackgroundColor'), get(0,'defaultUicontrolBackgroundColor'))
- set(hObject,'BackgroundColor','white');
- end
- function edit15_Callback(hObject, eventdata, handles)
- % hObject handle to edit15 (see GCBO)
- % eventdata reserved - to be defined in a future version of MATLAB
- % handles structure with handles and user data (see GUIDATA)
- % Hints: get(hObject,'String') returns contents of edit15 as text
- % str2double(get(hObject,'String')) returns contents of edit15 as a double
- handles.mol1=get(hObject,'String');
- guidata(hObject, handles);
- % --- Executes during object creation, after setting all properties.
- function edit15_CreateFcn(hObject, eventdata, handles)
- % hObject handle to edit15 (see GCBO)
- % eventdata reserved - to be defined in a future version of MATLAB
- % handles empty - handles not created until after all CreateFcns called
- % Hint: edit controls usually have a white background on Windows.
- % See ISPC and COMPUTER.
- if ispc && isequal(get(hObject,'BackgroundColor'), get(0,'defaultUicontrolBackgroundColor'))
- set(hObject,'BackgroundColor','white');
- end
- function edit16_Callback(hObject, eventdata, handles)
- % hObject handle to edit16 (see GCBO)
- % eventdata reserved - to be defined in a future version of MATLAB
- % handles structure with handles and user data (see GUIDATA)
- % Hints: get(hObject,'String') returns contents of edit16 as text
- % str2double(get(hObject,'String')) returns contents of edit16 as a double
- handles.mol2=get(hObject,'String');
- guidata(hObject, handles);
- % --- Executes during object creation, after setting all properties.
- function edit16_CreateFcn(hObject, eventdata, handles)
- % hObject handle to edit16 (see GCBO)
- % eventdata reserved - to be defined in a future version of MATLAB
- % handles empty - handles not created until after all CreateFcns called
- % Hint: edit controls usually have a white background on Windows.
- % See ISPC and COMPUTER.
- if ispc && isequal(get(hObject,'BackgroundColor'), get(0,'defaultUicontrolBackgroundColor'))
- set(hObject,'BackgroundColor','white');
- end
- function edit17_Callback(hObject, eventdata, handles)
- % hObject handle to edit17 (see GCBO)
- % eventdata reserved - to be defined in a future version of MATLAB
- % handles structure with handles and user data (see GUIDATA)
- % Hints: get(hObject,'String') returns contents of edit17 as text
- % str2double(get(hObject,'String')) returns contents of edit17 as a double
- handles.digit=int8(str2double(get(hObject,'String')));
- guidata(hObject, handles);
- % --- Executes during object creation, after setting all properties.
- function edit17_CreateFcn(hObject, eventdata, handles)
- % hObject handle to edit17 (see GCBO)
- % eventdata reserved - to be defined in a future version of MATLAB
- % handles empty - handles not created until after all CreateFcns called
- % Hint: edit controls usually have a white background on Windows.
- % See ISPC and COMPUTER.
- if ispc && isequal(get(hObject,'BackgroundColor'), get(0,'defaultUicontrolBackgroundColor'))
- set(hObject,'BackgroundColor','white');
- end
- function edit18_Callback(hObject, eventdata, handles)
- % hObject handle to edit18 (see GCBO)
- % eventdata reserved - to be defined in a future version of MATLAB
- % handles structure with handles and user data (see GUIDATA)
- % Hints: get(hObject,'String') returns contents of edit18 as text
- % str2double(get(hObject,'String')) returns contents of edit18 as a double
- handles.ionic=str2double(get(hObject,'String'));
- guidata(hObject, handles);
- % --- Executes during object creation, after setting all properties.
- function edit18_CreateFcn(hObject, eventdata, handles)
- % hObject handle to edit18 (see GCBO)
- % eventdata reserved - to be defined in a future version of MATLAB
- % handles empty - handles not created until after all CreateFcns called
- % Hint: edit controls usually have a white background on Windows.
- % See ISPC and COMPUTER.
- if ispc && isequal(get(hObject,'BackgroundColor'), get(0,'defaultUicontrolBackgroundColor'))
- set(hObject,'BackgroundColor','white');
- end
- function edit19_Callback(hObject, eventdata, handles)
- % hObject handle to edit19 (see GCBO)
- % eventdata reserved - to be defined in a future version of MATLAB
- % handles structure with handles and user data (see GUIDATA)
- % Hints: get(hObject,'String') returns contents of edit19 as text
- % str2double(get(hObject,'String')) returns contents of edit19 as a double
- handles.solvent=str2double(get(hObject,'String'));
- guidata(hObject, handles);
- % --- Executes during object creation, after setting all properties.
- function edit19_CreateFcn(hObject, eventdata, handles)
- % hObject handle to edit19 (see GCBO)
- % eventdata reserved - to be defined in a future version of MATLAB
- % handles empty - handles not created until after all CreateFcns called
- % Hint: edit controls usually have a white background on Windows.
- % See ISPC and COMPUTER.
- if ispc && isequal(get(hObject,'BackgroundColor'), get(0,'defaultUicontrolBackgroundColor'))
- set(hObject,'BackgroundColor','white');
- end
- function edit20_Callback(hObject, eventdata, handles)
- % hObject handle to edit20 (see GCBO)
- % eventdata reserved - to be defined in a future version of MATLAB
- % handles structure with handles and user data (see GUIDATA)
- % Hints: get(hObject,'String') returns contents of edit20 as text
- % str2double(get(hObject,'String')) returns contents of edit20 as a double
- handles.cin=get(hObject,'String');
- guidata(hObject, handles);
- % --- Executes during object creation, after setting all properties.
- function edit20_CreateFcn(hObject, eventdata, handles)
- % hObject handle to edit20 (see GCBO)
- % eventdata reserved - to be defined in a future version of MATLAB
- % handles empty - handles not created until after all CreateFcns called
- % Hint: edit controls usually have a white background on Windows.
- % See ISPC and COMPUTER.
- if ispc && isequal(get(hObject,'BackgroundColor'), get(0,'defaultUicontrolBackgroundColor'))
- set(hObject,'BackgroundColor','white');
- end
- function edit23_Callback(hObject, eventdata, handles)
- % hObject handle to edit23 (see GCBO)
- % eventdata reserved - to be defined in a future version of MATLAB
- % handles structure with handles and user data (see GUIDATA)
- % Hints: get(hObject,'String') returns contents of edit23 as text
- % str2double(get(hObject,'String')) returns contents of edit23 as a double
- handles.cout=get(hObject,'String');
- guidata(hObject, handles);
- % --- Executes during object creation, after setting all properties.
- function edit23_CreateFcn(hObject, eventdata, handles)
- % hObject handle to edit23 (see GCBO)
- % eventdata reserved - to be defined in a future version of MATLAB
- % handles empty - handles not created until after all CreateFcns called
- % Hint: edit controls usually have a white background on Windows.
- % See ISPC and COMPUTER.
- if ispc && isequal(get(hObject,'BackgroundColor'), get(0,'defaultUicontrolBackgroundColor'))
- set(hObject,'BackgroundColor','white');
- end
- function edit24_Callback(hObject, eventdata, handles)
- % hObject handle to edit24 (see GCBO)
- % eventdata reserved - to be defined in a future version of MATLAB
- % handles structure with handles and user data (see GUIDATA)
- % Hints: get(hObject,'String') returns contents of edit24 as text
- % str2double(get(hObject,'String')) returns contents of edit24 as a double
- handles.dime1=int16(str2double(get(hObject,'String')));
- guidata(hObject,handles);
- % --- Executes during object creation, after setting all properties.
- function edit24_CreateFcn(hObject, eventdata, handles)
- % hObject handle to edit24 (see GCBO)
- % eventdata reserved - to be defined in a future version of MATLAB
- % handles empty - handles not created until after all CreateFcns called
- % Hint: edit controls usually have a white background on Windows.
- % See ISPC and COMPUTER.
- if ispc && isequal(get(hObject,'BackgroundColor'), get(0,'defaultUicontrolBackgroundColor'))
- set(hObject,'BackgroundColor','white');
- end
- % --- Executes on button press in radiobutton1.
- function radiobutton1_Callback(hObject, eventdata, handles)
- % hObject handle to radiobutton1 (see GCBO)
- % eventdata reserved - to be defined in a future version of MATLAB
- % handles structure with handles and user data (see GUIDATA)
- %bt1=get(hObject,'Value')
- if (get(hObject,'Value') == get(hObject,'Max'))
- handles.bc='sdh';
- guidata(hObject, handles);
- else
- handles.bc='focusname.inm';
- guidata(hObject, handles);
- end
- % Hint: get(hObject,'Value') returns toggle state of radiobutton1
- % --- Executes on button press in radiobutton2.
- function radiobutton2_Callback(hObject, eventdata, handles)
- % hObject handle to radiobutton2 (see GCBO)
- % eventdata reserved - to be defined in a future version of MATLAB
- % handles structure with handles and user data (see GUIDATA)
- %bt2=get(hObject,'Value')
- if (get(hObject,'Value') == get(hObject,'Max'))
- handles.bc='focusname.inm';
- guidata(hObject, handles);
- else
- handles.bc='sdh';
- guidata(hObject, handles);
- end
- % Hint: get(hObject,'Value') returns toggle state of radiobutton2
- % --- Executes on button press in radiobutton3.
- function radiobutton3_Callback(hObject, eventdata, handles)
- % hObject handle to radiobutton3 (see GCBO)
- % eventdata reserved - to be defined in a future version of MATLAB
- % handles structure with handles and user data (see GUIDATA)
- %bt3=get(hObject,'Value')
- if (get(hObject,'Value') == get(hObject,'Max'))
- handles.ener='calceneryes';
- guidata(hObject, handles);
- else
- handles.ener='calcenerno';
- guidata(hObject, handles);
- end
- % Hint: get(hObject,'Value') returns toggle state of radiobutton3
- % --- Executes on button press in radiobutton4.
- function radiobutton4_Callback(hObject, eventdata, handles)
- % hObject handle to radiobutton4 (see GCBO)
- % eventdata reserved - to be defined in a future version of MATLAB
- % handles structure with handles and user data (see GUIDATA)
- %bt4=get(hObject,'Value')
- if (get(hObject,'Value') == get(hObject,'Max'))
- handles.ener='calcenerno';
- guidata(hObject, handles);
- else
- handles.ener='calceneryes';
- guidata(hObject, handles);
- end
- % Hint: get(hObject,'Value') returns toggle state of radiobutton4
- % --- Executes on button press in pushbutton2.
- function pushbutton2_Callback(hObject, eventdata, handles)
- % hObject handle to pushbutton2 (see GCBO)
- % eventdata reserved - to be defined in a future version of MATLAB
- % handles structure with handles and user data (see GUIDATA)
- %data=guidata(hOject);
- dime(1)=handles.dime1;
- dime(2)=handles.dime2;
- dime(3)=handles.dime3;
- glen(1)=handles.glen1;
- glen(2)=handles.glen2;
- glen(3)=handles.glen3;
- bulk(1)=handles.ionic;
- bulk(2)=handles.solvent;
- fid = fopen(handles.filename, 'wt');
- fprintf(fid,'%g %g %g\n',dime);
- fprintf(fid,'%f %f %f\n', glen);
- fprintf(fid,'%f\n', handles.temp);
- fprintf(fid,'%f %f\n', bulk);
- fprintf(fid,'%s\n',handles.bc);
- fprintf(fid,'%g\n',handles.digit);
- fprintf(fid,'%s\n',handles.dielx);
- fprintf(fid,'%s\n',handles.diely);
- fprintf(fid,'%s\n',handles.dielz);
- fprintf(fid,'%s\n',handles.kappa);
- fprintf(fid,'%s\n',handles.mol1);
- fprintf(fid,'%s\n',handles.mol2);
- fprintf(fid,'%s\n',handles.ener);
- fprintf(fid,'%s\n',handles.cin);
- fprintf(fid,'%s\n',handles.cout);
- fclose(fid);
- if strcmp(handles.filename, 'focusname.inm')==1
- msgbox('The focusname.inm was successfully generated. Please, press Run MAPBS','GREAT','none')
- end
- if (strcmp(handles.filename, 'inputfile.inm')==1 && strcmp(handles.bc, 'sdh')==1)
- msgbox('The inputfile.inm was successfully generated. Please, press Run MAPBS','GREAT','none')
- end
- if strcmp(handles.bc, 'focusname.inm')==1
- warndlg('The inputfile.inm was generated. Please type now the corresponding values for the coarse grid calculation and then press Generate Input Files again','!! Warning, Focus Boundary Condition !!')
- handles.filename='focusname.inm';
- guidata(hObject, handles);
- end
- % --- Executes on button press in pushbutton3.
- function pushbutton3_Callback(hObject, eventdata, handles)
- % hObject handle to pushbutton3 (see GCBO)
- % eventdata reserved - to be defined in a future version of MATLAB
- % handles structure with handles and user data (see GUIDATA)
- msgbox('The MAPBS is running in your MATLAB command windows. you can close any other matlab windows anytime.','MAPBS Calculation','none')
- pause(6)
- close
- pause(6)
- MAPBS('inputfile.inm')