/apbs-1.3-source/tools/matlab/solver/MATLAB_PB_SOLVER_6/MATLAB_APBS.m

function varargout = MATLAB_APBS(varargin)
% MATLAB_APBS M-file for MATLAB_APBS.fig
%      MATLAB_APBS, by itself, creates a new MATLAB_APBS or raises the existing
%      singleton*.
%
%      H = MATLAB_APBS returns the handle to a new MATLAB_APBS or the handle to
%      the existing singleton*.
%
%      MATLAB_APBS('CALLBACK',hObject,eventData,handles,...) calls the local
%      function named CALLBACK in MATLAB_APBS.M with the given input arguments.
%
%      MATLAB_APBS('Property','Value',...) creates a new MATLAB_APBS or raises the
%      existing singleton*.  Starting from the left, property value pairs are
%      applied to the GUI before MATLAB_APBS_OpeningFcn gets called.  An
%      unrecognized property name or invalid value makes property application
%      stop.  All inputs are passed to MATLAB_APBS_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 MATLAB_APBS

% Last Modified by GUIDE v2.5 13-Dec-2009 10:31:55

% Begin initialization code - DO NOT EDIT
gui_Singleton = 1;
gui_State = struct('gui_Name',       mfilename, ...
                   'gui_Singleton',  gui_Singleton, ...
                   'gui_OpeningFcn', @MATLAB_APBS_OpeningFcn, ...
                   'gui_OutputFcn',  @MATLAB_APBS_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 MATLAB_APBS is made visible.
function MATLAB_APBS_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 MATLAB_APBS (see VARARGIN)

% Choose default command line output for MATLAB_APBS
handles.output = hObject;
handles.dime1=0;
handles.dime2=0;
handles.dime3=0;
handles.glen1=0;
handles.glen2=0;
handles.glen3=0;
handles.temp=0;
handles.ionic=0;
handles.solvent=0;
handles.dielx='';
handles.diely='';
handles.dielz='';
handles.pathdielx='';
handles.kappa='';
handles.mol1='';
handles.mol2='';
handles.cout='';
handles.memorypath='.';
handles.ener='calcenerno';
handles.bc='focusname.inm';
handles.digit=6;
handles.filename='inputfile.inm';
% Update handles structure
guidata(hObject, handles);

% UIWAIT makes MATLAB_APBS wait for user response (see UIRESUME)
 %uiwait(handles.figure1);


% --- Outputs from this function are returned to the command line.
function varargout = MATLAB_APBS_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);
%
% if strcmp(handles.filename, 'focusname.inm')==1
% set(hObject, 'Enable','on');
% set(hObject, 'String','');
% handles.dielx='';
% guidata(hObject,handles);
% end
filespec = {'*.dx', 'Open Format files (*.dx)'};
[handles.dielx, handles.pathdielx] = uigetfile(filespec, 'Select the Required File',handles.memorypath);

if (ischar(handles.dielx)==0)
    handles.dielx='';
elseif strcmp(handles.dielx, '')==0
%     addpath(handles.pathdielx)
%     [handles.rmin,handles.dime,handles.h]=gridinf(handles.dielx);
handles.memorypath=handles.pathdielx;
end
set(hObject, 'String',handles.dielx);
guidata(hObject,handles);
% button = questdlg('Are you sure this is the correct file? You are not able to change it later!','Confirmation','Yes','No','Yes');
% if strcmp(button, 'Yes')==1
% %set(hObject, 'Enable','off');
% else 
%     msgbox('please, press "enter" and try again, thanks','Confirmation','none');
%     set(hObject, 'String','');
%     guidata(hObject,handles);
% end
% --- 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 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);
%
filespec = {'*.dx', 'Open Format files (*.dx)'};
[handles.diely, handles.pathdielx] = uigetfile(filespec, 'Select the Required File',handles.memorypath);

if (ischar(handles.diely)==0)
    handles.diely='';
elseif strcmp(handles.diely, '')==0
%     addpath(handles.pathdielx)
%     [handles.rmin,handles.dime,handles.h]=gridinf(handles.dielx);
handles.memorypath=handles.pathdielx;
end
set(hObject, 'String',handles.diely);
guidata(hObject,handles);
% button = questdlg('Are you sure this is the correct file? You are not able to change it later!','Confirmation','Yes','No','Yes');
% if strcmp(button, 'Yes')==1
% %set(hObject, 'Enable','off');
% else 
%     msgbox('please, press "enter" and try again, thanks','Confirmation','none');
%     set(hObject, 'String','');
%     guidata(hObject,handles);
% end

% --- 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);
%
filespec = {'*.dx', 'Open Format files (*.dx)'};
[handles.dielz, handles.pathdielx] = uigetfile(filespec, 'Select the Required File',handles.memorypath);

if (ischar(handles.dielz)==0)
    handles.dielz='';
elseif strcmp(handles.dielz, '')==0
%     addpath(handles.pathdielx)
%     [handles.rmin,handles.dime,handles.h]=gridinf(handles.dielx);
handles.memorypath=handles.pathdielx;
end
set(hObject, 'String',handles.dielz);
guidata(hObject,handles);
% button = questdlg('Are you sure this is the correct file? You are not able to change it later!','Confirmation','Yes','No','Yes');
% if strcmp(button, 'Yes')==1
% set(hObject, 'Enable','off');
% else 
%     msgbox('please, press "enter" and try again, thanks','Confirmation','none');
%     set(hObject, 'String','');
%     guidata(hObject,handles);
% end

% --- 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);
%
filespec = {'*.dx', 'Open Format files (*.dx)'};
[handles.kappa, handles.pathdielx] = uigetfile(filespec, 'Select the Required File',handles.memorypath);

if (ischar(handles.kappa)==0)
    handles.kappa='';
elseif strcmp(handles.kappa, '')==0
%     addpath(handles.pathdielx)
%     [handles.rmin,handles.dime,handles.h]=gridinf(handles.dielx);
handles.memorypath=handles.pathdielx;
end
set(hObject, 'String',handles.kappa);
guidata(hObject,handles);
% button = questdlg('Are you sure this is the correct file? You are not able to change it later!','Confirmation','Yes','No','Yes');
% if strcmp(button, 'Yes')==1
% set(hObject, 'Enable','off');
% else 
%     msgbox('please, press "enter" and try again, thanks','Confirmation','none');
%     set(hObject, 'String','');
%     guidata(hObject,handles);
% end

% --- 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);
%
filespec = {'*.pqr', 'Format File (*.pqr)'};
[handles.mol1, handles.pathdielx] = uigetfile(filespec, 'Select the Required File',handles.memorypath);

if (ischar(handles.mol1)==0)
    handles.mol1='';
elseif strcmp(handles.mol1, '')==0
%     addpath(handles.pathdielx)
%     [handles.rmin,handles.dime,handles.h]=gridinf(handles.dielx);
handles.memorypath=handles.pathdielx;
end
set(hObject, 'String',handles.mol1);
guidata(hObject,handles);
% button = questdlg('Are you sure this is the correct file? You are not able to change it later!','Confirmation','Yes','No','Yes');
% if strcmp(button, 'Yes')==1
% set(hObject, 'Enable','off');
% else 
%     msgbox('please, press "enter" and try again, thanks','Confirmation','none');
%     set(hObject, 'String','');
%     guidata(hObject,handles);
% end

% --- 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);
%
filespec = {'*.pqr', 'Format File (*.pqr)'};
[handles.mol2, handles.pathdielx] = uigetfile(filespec, 'Select the Required File',handles.memorypath);

if (ischar(handles.mol2)==0)
    handles.mol2='';
elseif strcmp(handles.mol2, '')==0
%     addpath(handles.pathdielx)
%     [handles.rmin,handles.dime,handles.h]=gridinf(handles.dielx);
handles.memorypath=handles.pathdielx;
end
set(hObject, 'String',handles.mol2);
guidata(hObject,handles);
% button = questdlg('Are you sure this is the correct file? You are not able to change it later!','Confirmation','Yes','No','Yes');
% if strcmp(button, 'Yes')==1
% set(hObject, 'Enable','off');
% else 
%     msgbox('please, press "enter" and try again, thanks','Confirmation','none');
%     set(hObject, 'String','');
%     guidata(hObject,handles);
% end

% --- 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 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);
%
handles.cout = uigetdir(handles.memorypath,'please, select Directory to Open');
if (ischar(handles.cout)==0)
    handles.cout='';
end
set(hObject, 'String',handles.cout);
%handles.cout=get(hObject,'String');
guidata(hObject,handles);
% button = questdlg('Are you sure this is the the correct Directory? You are not able to change it later!','Confirmation','Yes','No','Yes');
% if strcmp(button, 'Yes')==1
% set(hObject, 'Enable','off');
% else 
%     msgbox('please, press "Enter" and try again, thanks','Confirmation','none');
%         set(hObject, 'String','');
%     guidata(hObject,handles);
% end

% --- 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.pathdielx);
fprintf(fid,'%s\n',handles.cout);
fclose(fid);

 button = questdlg('Are you sure you provided the correct information? You wont be able to change it later!','Confirmation','Yes','No','Yes');
 if strcmp(button, 'No')==1
% set(hObject, 'Enable','off');
% else 
     msgbox('Please, make all the neccessary corrections and then press "Generate Input Files" again, thanks!!.','Confirmation','none');
%     set(hObject, 'String','');
%     guidata(hObject,handles);
 else
if (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
    close
thh=warndlg('The inputfile.inm was generated. Please, type in the new window the corresponding values for the coarse grid calculation and then press Generate Input Files again','!! Warning, Focus Boundary Condition requires more information!!','modal');
waitfor(thh)
clear
clc
run MATLAB_APBS_FOCUS
end
 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)
close

th=msgbox('The MAPBS will run in your MATLAB command window. you can close any other matlab windows anytime.','MAPBS Calculation','none','modal');
waitfor(th)
clear
clc
MAPBS('inputfile.inm')