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Python: need to get energies of charge pairs.

- by Two786

I am new to python. I have to make a program for a project that takes a PDB format file as input and returns a list of all the intra-chain and inter-chain charge pairs and their energies (using coulomb’s law assuming a dielectric constant of (?) of 40.0). For simplicity, the charged residues for this program are just Arg (CZ), Lys (NZ), Asp (CG) and Glu (CD) with the charge bearing atoms for each indicated in parentheses. The program should report any attractive or repulsive interactions within 8.0 Å. Here is some additional information needed for the program. Eij = energy of interaction between atoms i and j in kilocalories/mole (kcals/mol) qi = charge for atom i (+1 for Lys or Arg, -1 for Glu or Asp) rij = distance between atoms i and j in angstroms using the distance formula The output should adhere to the following format: First residue : Second residue Distance Energy Lys 10 Chain A: ASP 46 Chain A D= 4.76 ang E= -2.32 kcals/mol (For some reason I can't organize the top two rows, but the first row should be lables and below it the corresponding values.) I really have no idea how to tackle this problem, any and all help is greatly appreciated. I hope this is the right place to ask. Thank you in advance. Using python 2.5

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passing data from an activity to an listactivity or listview

- by wicked14

need help on passing data from an activity to an listactivity or listview for an android app. im having problems on passing data to a listview. what the app do is from addact class the user can input things to do and in the viewact class this will display the activies add by the user in listview public class addact extends Activity { @Override public void onCreate(Bundle savedInstanceState) { super.onCreate(savedInstanceState); setContentView(R.layout.newact); Button btn1 = (Button)findViewById(R.id.btnsave); final EditText et1 = (EditText)findViewById(R.id.etactivity); btn1.setOnClickListener(new OnClickListener() { @Override public void onClick(View arg0) { Intent it = new Intent(addact.this, viewact.class); it.putExtra("thekey", et1.getText().toString()); startActivity(it); } }); } } public class viewact extends ListActivity { String addToDo =getIntent().getExtras().getString("thekey"); String[] toDoAct = new String[] {addToDo }; @Override public void onCreate(Bundle savedInstanceState) { super.onCreate(savedInstanceState); setContentView(R.layout.viewact); setListAdapter(new ArrayAdapter<String>(this, R.layout.viewact,toDoAct)); ListView listView = getListView(); listView.setTextFilterEnabled(true); listView.setOnItemClickListener(new OnItemClickListener() { public void onItemClick(AdapterView<?> parent, View view, int position, long id) { for (int i=0; i < 2; i++) { Toast.makeText(getApplicationContext(), ((TextView) view).getText(), Toast.LENGTH_LONG).show(); } } }); } }

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I can't compile this code

- by heshim

#include <stdio.h> #define IN 1 /* inside a word */ #define OUT 0 /* outside a word */ /* count lines, words, and characters in input */ main() { int c, nl, nw, nc, state; state = OUT; nl = nw = nc = 0; while ((c = getchar()) != EOF) { ++nc; if (c == '\n') ++nl; if (c == ' ' || c == '\n' || c = '\t') state = OUT; else if (state == OUT) { state = IN; ++nw; } } printf("%d %d %d\n", nl, nw, nc); } I got K&R book but there are some codes that don't compile ! it gives me - 19 C:\Users\Nom\Desktop\Untitled1.c invalid lvalue in assignment edit: now it works, thanks guys, but now it does nothing ! the printf statement doesn't work. It opens the dos console, I type anything and it just return a new line. I'm using Dev-C++ 4.9.9.2 I put the printf statement inside the while loop and it works now. thanks

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Struts2 jQuery Plugin Autocompleter renders HTML with style attributes <== changing this?

- by Tim

I'm using the Struts2 jQuery plugin 2.1 and render an autocompleter in my JSP. Here's the code: <s:form id="search-form" action="search" theme="simple"> <s:url id="remoteurl" action="jsonlanguages"/> <div> <sj:autocompleter cssClass="bgstandardelement empty" id="languages" name="echo" href="%{remoteurl}" delay="50" value="Search..." /> <input type="submit" id="search-button" value="GO" /> </div> </s:form> No matter what theme I set the autocompleter-form to, the HTML rendered for the list I output is always an unordered list with a style element that I cannot override. It has the following stype-attribute: style='z-index: 1; top: 242px; left: 926px; display: none; width: 256px'; As I want another outfit for my list, this doesn't work. Putting in the following attribute has no effect: cssStyle="width:115px!important;" What can I do?

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How important is the website logo on a page?

- by meo

I have stopped to insert "img" tags for the logo of the page. Because its not an image that is part of the content, its a design element but its still a information I want to have control over. So I just write the title in a "a" element as display: block, overflow: hidden and I push the text out with some padding. I think thats a good solution for SEO because you are keeping control of how important the logo should be on a page. But now my dilemma is starting. How important is the logo of a page? "A list apart" puts the logo in a h1 element. But is the logo really that important? On article pages you have two H1 elements (the logo and the title of the article) Most of the sites just use a img balbal /a, but I don't like this solution. Because I just want to use img for images that are part of the content... Its kinda philosophical question, I hope you can give me some input or some articles to read about that...

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Is Safari on iOS 6 caching $.ajax results?

- by user1684978

Since the upgrade to iOS 6, we are seeing Safari's web view take the liberty of caching $.ajax calls. This is in the context of a PhoneGap application so it is using the Safari WebView. Our $.ajax calls are POST methods and we have cache set to false {cache:false}, but still this is happening. We tried manually adding a timestamp to the headers but it did not help. We did more research and found that Safari is only returning cached results for web services that have a function signature that is static and does not change from call to call. For instance, imagine a function called something like: getNewRecordID(intRecordType) This function receives the same input parameters over and over again, but the data it returns should be different every time. Must be in Apple's haste to make iOS 6 zip along impressively they got too happy with the cache settings. Has anyone else seen this behavior on iOS 6? If so, what exactly is causing it? The workaround that we found was to modify the function signature to be something like this: getNewRecordID(intRecordType, strTimestamp) and then always pass in a timestamp parameter as well, and just discard that value on the server side. This works around the issue. I hope this helps some other poor soul who spends 15 hours on this issue like I did!

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C++ reference variable again!!!

- by kumar_m_kiran

Hi All, I think most would be surprised about the topic again, However I am referring to a book "C++ Common Knowledge: Essential Intermediate Programming" written by "Stephen C. Dewhurst". In the book, he quotes a particular sentence (in section under Item 5. References Are Aliases, Not Pointers), which is as below A reference is an alias for an object that already exists prior to the initialization of the reference. Once a reference is initialized to refer to a particular object, it cannot later be made to refer to a different object; a reference is bound to its initializer for its whole lifetime Can anyone please explain the context of "cannot later be made to refer to a different object" Below code works for me, #include <iostream> using namespace std; int main(int argc, char *argv[]) { int i = 100; int& ref = i; cout<<ref<<endl; int k = 2000; ref = k; cout<<ref<<endl; return 0; } Here I am referring the variable ref to both i and j variable. And the code works perfectly fine. Am I missing something? I have used SUSE10 64bit linux for testing my sample program. Thanks for your input in advance.

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Add new Formelemts and transform it with jqtransform

- by user545782

I'm just trying to change my formfields with jqtransform. With the following Javascript Code, i add new formfields: <script type="text/javascript"> $(function() { var scntDiv = $('#p_scents'); var i = $('#p_scents p').size() + 1; $('#addScnt').live('click', function() { if(i < 4){ $('<p>\n\ <label for="p_scnts">\n\ <input type="text" id="p_scnt" size="17" name="fmac' + i +'[]" value="" />\n\ <select name="fmac' + i +'[]" size="1" id="p_scnt_a">\n\ <option selected value="K">KABEL</option>\n\ <option value="W">WLAN</option>\n\ <option value="V">VPN</option>\n\ </select>\n\ </label>\n\ </p>').appendTo(scntDiv); i++; } if(i > 3 ){ $('#showaddmac').hide(); } return false; }); $('#remScnt').live('click', function() { if( i > 2 ) { $(this).parents('p').remove(); i--; } if(i < 4 ){ $('#showaddmac').show(); } return false; }); }); </script> this works with out problemes, but the new fields will be not transformed. Does anyone know a solution to the problem? Sry for my bad english :)

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integrating jquery with AJAX using MVC for ddl/html.dropdownlist

- by needhelp

the situation: a user on the page in question selects a category from a dropdown which then dynamically populates all the users of that category in a second dropdown beside it. all the data is being retrieved using LinqtoSQL and i was wondering if this can be done a) using html.dropdownlist in a strongly typed view? b) using jquery to trigger the ajax request on selected index change instead of a 'populate' button trigger? sorry i dont have code as what i was trying really wasnt working at all. I am having trouble with how to do it conceptually and programatically! will appreciate any links to examples etc greatly! thanks in advance! EDIT: this is kind of what i was trying to achieve.. first the ViewPage: <script type="text/javascript"> $(document).ready function TypeSearch() { $.getJSON("/Home/Type", null, function(data) { //dont know what to do here }); } </script> <p> <label for="userType">userType:</label> <%= Html.DropDownList("userType") %> <%= Html.ValidationMessage("userType", "*") %> <input type="submit" runat="server" onclick="TypeSearch()" /> <label for="accountNumber">accountNumber:</label> <%= Html.DropDownList("accountNumber") %> <%= Html.ValidationMessage("accountNumber", "*") %> </p> Then home controller action: public ActionResult Type() { string accountType = dropdownvalue; List<Account> accounts = userRep.GetAccountsByType(accountType).ToList(); return Json(accounts); }

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Java File Handling, what did I do wrong?

- by Urda

Wrote up a basic file handler for a Java Homework assignment, and when I got the assignment back I had some notes about failing to catch a few instances: Buffer from file could have been null. File was not found File stream wasn't closed Here is the block of code that is used for opening a file: /** * Create a Filestream, Buffer, and a String to store the Buffer. */ FileInputStream fin = null; BufferedReader buffRead = null; String loadedString = null; /** Try to open the file from user input */ try { fin = new FileInputStream(programPath + fileToParse); buffRead = new BufferedReader(new InputStreamReader(fin)); loadedString = buffRead.readLine(); fin.close(); } /** Catch the error if we can't open the file */ catch(IOException e) { System.err.println("CRITICAL: Unable to open text file!"); System.err.println("Exiting!"); System.exit(-1); } The one comment I had from him was that fin.close(); needed to be in a finally block, which I did not have at all. But I thought that the way I have created the try/catch it would have prevented an issue with the file not opening. Let me be clear on a few things: This is not for a current assignment (not trying to get someone to do my own work), I have already created my project and have been graded on it. I did not fully understand my Professor's reasoning myself. Finally, I do not have a lot of Java experience, so I was a little confused why my catch wasn't good enough.

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Advice on Minimizing Stored Procedure Parameters

- by RPM1984

Hi Guys, I have an ASP.NET MVC Web Application that interacts with a SQL Server 2008 database via Entity Framework 4.0. On a particular page, i call a stored procedure in order to pull back some results based on selections on the UI. Now, the UI has around 20 different input selections, ranging from a textbox, dropdown list, checkboxes, etc. Each of those inputs are "grouped" into logical sections. Example: Search box : "Foo" Checkbox A1: ticked, Checkbox A2: unticked Dropdown A: option 3 selected Checkbox B1: ticked, Checkbox B2: ticked, Checkbox B3: unticked So i need to call the SPROC like this: exec SearchPage_FindResults @SearchQuery = 'Foo', @IncludeA1 = 1, @IncludeA2 = 0, @DropDownSelection = 3, @IncludeB1 = 1, @IncludeB2 = 1, @IncludeB3 = 0 The UI is not too important to this question - just wanted to give some perspective. Essentially, i'm pulling back results for a search query, filtering these results based on a bunch of (optional) selections a user can filter on. Now, My questions/queries: What's the best way to pass these parameters to the stored procedure? Are there any tricks/new ways (e.g SQL Server 2008) to do this? Special "table" parameters/arrays - can we pass through User-Defined-Types? Keep in mind im using Entity Framework 4.0 - but could always use classic ADO.NET for this if required. What about XML? What are the serialization/de-serialization costs here? Is it worth it? How about a parameter for each logical section? Comma-seperated perhaps? Just thinking out loud. This page is particulary important from a user point of view, and needs to perform really well. The stored procedure is already heavy in logic, so i want to minimize the performance implications - so keep that in mind. With that said - what is the best approach here?

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How to add or remove a value inside a table cell on selection / de-selection of checkbox of that row, trying to submit the value via Jquery?

- by Raul

Here is the table: <%= form_tag '', :id => "costs" do %> <table class="table table-bordered" id="service_cost"> <% @services.each do |service| %> <tbody> <tr> <td><%= check_box_tag :open_service, {}, false, :class => 'checkable' %></td> <td><%= service.phone %></td> <td><%= service.internet %></td> <td></td> <td></td> <td></td> <td></td> <td></td> <td><%= service.house_keeping %> </td> <td>0.0 </td> <td><%= service.laundry %></td> <td><%= text_field_tag "service_cost", service.total, :class => "input-small" %></td> </tr> <% end %> when the form gets submitted, the javascript gets into action: $("#costs").submit(function(){ formData=$("#costs").serializeArray(); processFormData(formData) return false; }); This ensures form submission on selecting the checkbox: $('.checkable').live('change', function() { $(this).parents('form:first').submit(); }); But, what I am looking for is adding or removing a cell value based on checkbox selection/de-selection and submitting it, kindly suggest a way to do it.

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C: writing the following code into functions

- by donok

Dear respected programmers. Please could you help me (again) on how to put the following code into functions for my program. I have read on-line and understand how functions work but when I do it myself it all goes pear shaped/wrong(I am such a noob). Please could you help with how to for example to write the code below into functions.(like opening the input file). My attempt: void outputFile(int argc, char **argv) { /* Check that the output file doesnt exist */ if (stat(argv[argc-1], &inode) != -1) { printf("Warning: The file %s already exists. Not going to overwrite\n", argv[argc-1]); return -1; } /*Opening ouput files*/ file_desc_out = open(argv[i],O_CREAT | O_WRONLY | O_EXCL , S_IRUSR|S_IWUSR); if(file_desc_out == -1) { printf("Error: %s cannot be opened. \n",argv[i]); //insted of argv[2] have pointer i. return -1; } } Any help on how I would now reference to this in my program is appreciated thank you. I tried: ouputfile(but I cant figure out what goes here and why either).

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How to load data on option box in php

- by user225269

I'm having trouble loading the mysql data on the html form option box using php. Here's my code: <?php $con = mysql_connect("localhost","myuname","mypassword"); if (!$con) { die('Could not connect: ' . mysql_error()); } mysql_select_db("school", $con); $idnum= mysql_real_escape_string($_POST['idnum']); $result = mysql_query("SELECT * FROM student WHERE IDNO='$idnum'"); ?> <?php while ( $row = mysql_fetch_array($result) ) { ?> <tr> <td width="30" height="35"><font size="2">*I D Number:</td> <td width="30"><input name="idnum" type="text" maxlength="5" value="<?php echo $row["IDNO"]; ?>" readonly="readonly"></td> </tr> My problem is loading it here: <td><font size="2">Gender</td> <td> <select name="gender" id="gender"> <font size="2"> <option value="<?php echo $line['IDNO']; ?> "><?php $line['GENDER'] ; ?></option> </select></td></td> The table looks like this: IDNO | GENDER 123 | M 321 | F What am I supposed to do?To load the exact gender corresponding to the IDNO?

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New user register, script auto create problems!

- by SKY

Hi, im currently trying to create a php script that when a new user register, a script (eg:wordpress,blog etc..) will install for them. I'm currently got the code below for just single setup, but how can i setup a form for multi user? which only allowing them to input the username (subdomain) and password. <?php class scriptname_Config { public static $title = 'new_script_title'; // Domain name and path where new script will installed in public static $domain = 'username.domain.com'; public static $absolutePath = '/new_register_username/'; // Settings for general mysql database public static $db = array( 'host' => 'localhost', 'database' => 'scriptname', 'user' => 'root', 'password' => '', 'prefix' => 'scriptname_' ); } define( 'scriptname_BASE_URL', 'http://'.scriptname_Config::$domain.scriptname_Config::$absolutePath ); ?> Or any tutorial that will help is appreciate! Thanks!

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sort elements in jQuery object

- by Fresheyeball

<div class="myClass">1</div> <div class="myClass">2</div> <div class="myClass">3</div> <div class="myClass">4</div> <div class="myClass">5</div> <div class="myClass">6</div> var $myClass = $('.myClass'); $myClass.eq(0).text() //returns '1' $myClass.eq(4).text() //returns '5' $myClass.eq(5).text() //returns '6' What I want to do is reorder the objects in jQuery manually. //fantasy command reversing $myClass.eqSorter([5,4,3,2,1,0]); $myClass.eq(0).text() //returns '6' $myClass.eq(5).text() //returns '1' What I really want is to allow a fully custom order input //fantasy command custom ordering $myClass.eqSorter([3,5,4,2,0,1]); $myClass.eq(0).text() //returns '4' $myClass.eq(5).text() //returns '2' Now I've looked at basic ways of doing this like .sort as a part of javascript, but .sort takes a dynamic argument the compares things, and does not allow for a fully custom order. I also looked at making a new blank jquery object that I could pass elements into like this $newObjectVar.eq(0) = $myClass.eq(3); for example. But as of yet I have not found a way to make a blank jQuery object like this.

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JQuery datepicker icon trigger broken after inserting data to database

- by crisgine callano

at first i got to load my icon for the JQuery datepicker but after i insert the value to my database the icon image is broken. im using Codeigniter framework. here's my html code: <!DOCTYPE HTML> <html lang="en-US"> <head> <meta charset="UTF-8"> <title>CRUD</title> <?php echo link_tag(base_url() . 'css/ui-lightness/jquery-ui-1.8.23.custom.css'); ?> </head> <body> <div> <?php echo form_label('BDay:', 'bday'); $data = array( 'name' => 'bday', 'id' => 'datepicker' ); echo form_input($data); ?> </div> </body> </html> and here's my jscript: <script> $(function() { $( "#datepicker" ).datepicker({ changeMonth: true, changeYear: true, showOn: "button", buttonImage: "<?php echo base_url() . '/images/icons/calendar_24.png' ?>", buttonImageOnly: true, onSelect: function(dateText, inst){ $("input[name='bday']").val(dateText); } }); }); am i missing something? thanks!

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How to parse multiple dates from a block of text in Python (or another language)

- by mlissner

I have a string that has several date values in it, and I want to parse them all out. The string is natural language, so the best thing I've found so far is dateutil. Unfortunately, if a string has multiple date values in it, dateutil throws an error: >>> s = "I like peas on 2011-04-23, and I also like them on easter and my birthday, the 29th of July, 1928" >>> parse(s, fuzzy=True) Traceback (most recent call last): File "<stdin>", line 1, in <module> File "/usr/lib/pymodules/python2.7/dateutil/parser.py", line 697, in parse return DEFAULTPARSER.parse(timestr, **kwargs) File "/usr/lib/pymodules/python2.7/dateutil/parser.py", line 303, in parse raise ValueError, "unknown string format" ValueError: unknown string format Any thoughts on how to parse all dates from a long string? Ideally, a list would be created, but I can handle that myself if I need to. I'm using Python, but at this point, other languages are probably OK, if they get the job done. PS - I guess I could recursively split the input file in the middle and try, try again until it works, but it's a hell of a hack.

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Strange offset space between <button> as parent container and <div> as child.

- by Maxja

I need to decorate a standard html button. The base element I took <button> instead of <input>, cos I decided that the element must be a parent container. And there is child element <div> in it. This <div> element will be been the core element for decoration, and should occupy the entire space of the parent element - button. <button> <div>*decoration goes here*</div> </button> And within Cascading Style Sheets it might be looks like this: css button { margin: 0; border: 0; padding: 0; width: *150*px; height: *50*px; position: relative; } div { margin: 0; border: 0; padding: 0; width: 100%; height: 100%; background: *black*; position: absolute; top: 0; left: 0; } html <button type="button"> <div>*decoration goes here*</div> </button> So, Opera(10) is doing well, webkits Chrome(6) and Safari(4) is doing also well, but Internet Explorer(8) is bad - DOM Inspector shows some strange Offset space in top and left, FireFox(3) is also bad - DOM Inspector shows that <div> get some negative value in css-property right: and bottom:. Even if this property will set to zero(0) DOM-Inspector still shows same negative value. I almost broke my brain. Help me, solve this problem, please!

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Pointer and malloc issue

- by Andy

I am fairly new to C and am getting stuck with arrays and pointers when they refer to strings. I can ask for input of 2 numbers (ints) and then return the one I want (first number or second number) without any issues. But when I request names and try to return them, the program crashes after I enter the first name and not sure why. In theory I am looking to reserve memory for the first name, and then expand it to include a second name. Can anyone explain why this breaks? Thanks! #include <stdio.h> #include <stdlib.h> void main () { int NumItems = 0; NumItems += 1; char* NameList = malloc(sizeof(char[10])*NumItems); printf("Please enter name #1: \n"); scanf("%9s", NameList[0]); fpurge(stdin); NumItems += 1; NameList = realloc(NameList,sizeof(char[10])*NumItems); printf("Please enter name #2: \n"); scanf("%9s", NameList[1]); fpurge(stdin); printf("The first name is: %s",NameList[0]); printf("The second name is: %s",NameList[1]); return 0; }

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Utilizing a Queue

- by Nathan

I'm trying to store records of transactions all together and by category for the last 1, 7, 30 or 360 days. I've tried a couple things, but they've brutally failed. I had an idea of using a queue with 360 values, one for each day, but I don't know enough about queue's to figure out how that would work. Input will be an instance of this class: class Transaction { public string TotalEarned { get; set; } public string TotalHST { get; set; } public string TotalCost { get; set; } public string Category { get; set; } } New transactions can occur at any time during the day, and there could be as many as 15 transactions in a day. My program is using a plain text file as external storage, but how I load it depends on how I decide to store this data. What would be the best way to do this?

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Why does Go not seem to recognize size_t in a C header file?

- by Graeme Perrow

I am trying to write a go library that will act as a front-end for a C library. If one of my C structures contains a size_t, I get compilation errors. AFAIK size_t is a built-in C type, so why wouldn't go recognize it? My header file looks like: typedef struct mystruct { char * buffer; size_t buffer_size; size_t * length; } mystruct; and the errors I'm getting are: gcc failed: In file included from <stdin>:5: mydll.h:4: error: expected specifier-qualifier-list before 'size_t' on input: typedef struct { char *p; int n; } _GoString_; _GoString_ GoString(char *p); char *CString(_GoString_); #include "mydll.h" I've even tried adding either of // typedef unsigned long size_t or // #define size_t unsigned long in the .go file before the // #include, and then I get "gcc produced no output". I have seen these questions, and looked over the example with no success.

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Assigning a value to an integer in a C linked list

- by Drunk On Java

Hello all. I have a question regarding linked lists. I have the following structs and function for example. struct node { int value; struct node *next; }; struct entrynode { struct node *first; struct node *last; int length; }; void addnode(struct entrynode *entry) { struct node *nextnode = (struct node *)malloc(sizeof(struct node)); int temp; if(entry->first == NULL) { printf("Please enter an integer.\n"); scanf("%d", &temp); nextnode->value = temp; nextnode->next = NULL; entry->first = nextnode; entry->last = nextnode; entry->length++; } else { entry->last->next = nextnode; printf("Please enter an integer.\n"); scanf("%d", nextnode->value); nextnode->next = NULL; entry->last = nextnode; entry->length++; } } In the first part of the if statement, I store input into a temp variable and then assign that to a field in the struct. The else branch, I tried to assign it directly which did not work. How would I go about assigning it directly? Thanks for your time.

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Spring MVC Table selected row

- by ich-bin-drin

Hi, in a Spring MVC 2.5 application i'm using a spring <form:form> component and in this form a table with c:forEach is rendered. In each row a submit button is placed in. If i start a submit by clicking a button i would like to knwo, which button has processed the submit. <form:form commandName="formObject"> <table class="data-table" cellpadding="1" cellspacing="1" border="0"> <thead> <tr> </tr> </thead> <c:forEach items="${list}" var="document" varStatus="row"> <tr> <td> <input type="submit" value="${document.title}"/> <td> </tr> </c:forEach> </table> </form:form> THX.

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jQuery: How to innerHTML an HTML tag without id?

- by marknt15

Hi, For example I have this HTML code: <div id="canvas"> <div id="root"> <div id="content"> <span> <title>My SVG Example Title</title> <ellipse id="svg_1" /> </span> </div> </div> </div> How can I innerHTML the <span> tag without changing the <title> tag using jQuery? So my expected output would be something like this: <div id="canvas"> <div id="root"> <div id="content"> <span> <title>My SVG Example Title</title> <input type="text" value="this is the innerHTML I must insert but how?" /> </span> </div> </div> </div>

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