equil(CHNOSZ)
equil()所属R语言包：CHNOSZ
Calculate Logarithms of Activity of Species
计算对数的物种的活动
译者：生物统计家园网 机器人LoveR
描述----------Description----------
Calculate equilibrium chemical activities of species taking as input the affinities of formation of the species at unit activity.
计算平衡化学物种的活动以输入单位活动的物种亲缘关系的形成。
用法----------Usage----------
equil.boltz(Astar, nbalance, thisloga)
equil.react(Astar, av, nbalance, thisloga)
参数----------Arguments----------
参数：Astar
numeric, affinities of formation reactions excluding species contribution.
数字，亲和力，形成反应，不包括物种的贡献。
参数：nbalance
numeric, vector of balance coefficients.
数字，矢量平衡系数。
参数：thisloga
numeric, logarithm of total activity of balanced thing.
总活性平衡的东西，对数数字。
参数：av
numeric, values of affinities of formation reactions.
数字，价值观形成反应的亲和力。
Details
详细信息----------Details----------
The chemical activities of species shown by diagram are calculated using either the equil.boltz or equil.react functions. The former is used if residue in diagram is set to TRUE, and the latter if residue is set to FALSE.
化学活动对物种显示的diagram使用的equil.boltz或equil.react函数计算。前者是如果residuediagram设置为TRUE，而后者，如果residue设置为FALSE。
The input values are in a list, Astar, all elements of the list having the same dimensions. Each element contains the chemical affinities of the formation reactions of one of the species of interest at unit activity. The metastable equilibrium activities calculated using either equil.* function satisfy the constraints that 1) the resulting chemical affinities of the formation reactions of the species are all equal and 2) the total activity of the conserved component (thisloga) is unchanged.
输入值是在一个列表中，Astar，具有相同的尺寸的列表的所有元素。每个元素包含化学亲和力的形成反应在单位活性的物种的利益之一。亚稳平衡活动可以使用equil.*函数计算满足约束条件：1）的物种的形成反应得到的化学亲和力的全部相等，和2）的总活性的保守成分（thisloga）是不变的。
In equil.react (the algorithm described in Dick, 2008 and the only one available prior to CHNOSZ-0.8), the calculations of relative abundances of species use the activities in the affinity output as initial guesses, and attempt to solve a system of equations that represent the two constraints stated above. So, if you supply a value for thisloga that is much different from that of the initial guess you may end up with errors from uniroot such as "f() values at end points not of opposite sign".
在equil.react（算法在迪克2008年的唯一一个可用之前CHNOSZ-0.8），物种相对丰度的计算中使用的活动affinity输出作为初始猜测，并尝试以解决上述两个约束的方程表示的系统。所以，如果你提供的值thisloga这是很大的不同，从初始猜你最终可能会错误uniroot如“f（）的值不是终点相反的符号” 。
In equil.boltz (algorithm available beginning with CHNOSZ-0.8), the chemical activities of species are calculated using the Boltzmann distribution. This calculation is faster than the equation-solving approach used above, but is limited to systems where the balance coefficients are all unity. Therefore, this function is only called by diagram for systems of proteins when residue set to TRUE.
在equil.boltz（算法开始与CHNOSZ-0.8），物种的化学活动使用玻尔兹曼分布计算。这种计算速度比使用上面的方程解题方法，但仅限于系统的平衡系数都统一。因此，此功能只被diagram系统的蛋白质residue设置为TRUE。
值----------Value----------
A numeric value (possibly an array) with dimensions equal to those of one of the list elements of Astar.
一个数值（可能是数组）的与尺寸的Astar的列表元素之一。
转载请注明:出自 生物统计家园网(http://www.biostatistic.net)。
注：
注1：为了方便大家学习，本文档为生物统计家园网机器人LoveR翻译而成，仅供个人R语言学习参考使用，生物统计家园保留版权。
注2：由于是机器人自动翻译，难免有不准确之处，使用时仔细对照中、英文内容进行反复理解，可以帮助R语言的学习。
注3：如遇到不准确之处，请在本贴的后面进行回帖，我们会逐渐进行修订。
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发表于 2012-9-16 10:22:37
